USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot 180:sc= -0.831 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.38 K(o=-1.2,f=0.25) USER MOD Set 2.1: A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 29 TYR OH : rot 166:sc= 0.646 USER MOD Set 3.2: A 97 THR OG1 : rot 52:sc= 0.38 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0573 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.16) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc=-0.00227 (180deg=-0.134) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.36! C(o=-3.4!,f=-9.3!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.733 USER MOD Single : A 47 ASN : amide:sc= 0.12 K(o=0.12,f=-1.7!) USER MOD Single : A 53 THR OG1 : rot -47:sc= 1.56 USER MOD Single : A 54 SER OG : rot 180:sc= 0.156 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.013 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 90:sc= 1.3 USER MOD Single : A 69 GLN : amide:sc= -0.0985 K(o=-0.098,f=-1.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.4) USER MOD Single : A 81 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 87 CYS SG : rot -150:sc= -0.652 USER MOD Single : A 89 HIS : no HD1:sc= -0.0553 K(o=0.71,f=-4.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -155:sc= -0.0462 (180deg=-0.295) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 9.331 -5.171 -8.677 1.00 31.20 N ATOM 64 CA VAL A 7 9.922 -6.492 -8.497 1.00 4.41 C ATOM 65 C VAL A 7 11.293 -6.575 -9.160 1.00 54.01 C ATOM 66 O VAL A 7 12.311 -6.739 -8.487 1.00 63.24 O ATOM 67 CB VAL A 7 9.017 -7.596 -9.074 1.00 12.21 C ATOM 68 CG1 VAL A 7 9.633 -8.967 -8.842 1.00 72.10 C ATOM 69 CG2 VAL A 7 7.626 -7.517 -8.463 1.00 51.21 C ATOM 0 HA VAL A 7 10.030 -6.647 -7.423 1.00 4.41 H new ATOM 0 HB VAL A 7 8.926 -7.443 -10.149 1.00 12.21 H new ATOM 0 HG11 VAL A 7 8.979 -9.734 -9.256 1.00 72.10 H new ATOM 0 HG12 VAL A 7 10.606 -9.016 -9.331 1.00 72.10 H new ATOM 0 HG13 VAL A 7 9.756 -9.134 -7.772 1.00 72.10 H new ATOM 0 HG21 VAL A 7 6.999 -8.304 -8.882 1.00 51.21 H new ATOM 0 HG22 VAL A 7 7.695 -7.645 -7.383 1.00 51.21 H new ATOM 0 HG23 VAL A 7 7.185 -6.545 -8.686 1.00 51.21 H new ATOM 79 N LEU A 8 11.311 -6.460 -10.483 1.00 71.55 N ATOM 80 CA LEU A 8 12.557 -6.522 -11.240 1.00 20.24 C ATOM 81 C LEU A 8 12.818 -5.208 -11.968 1.00 12.42 C ATOM 82 O LEU A 8 12.011 -4.770 -12.788 1.00 13.13 O ATOM 83 CB LEU A 8 12.510 -7.675 -12.244 1.00 42.55 C ATOM 84 CG LEU A 8 12.292 -9.069 -11.657 1.00 33.22 C ATOM 85 CD1 LEU A 8 12.369 -10.126 -12.748 1.00 31.15 C ATOM 86 CD2 LEU A 8 13.311 -9.353 -10.563 1.00 43.15 C ATOM 0 H LEU A 8 10.477 -6.323 -11.054 1.00 71.55 H new ATOM 0 HA LEU A 8 13.372 -6.694 -10.537 1.00 20.24 H new ATOM 0 HB2 LEU A 8 11.712 -7.475 -12.959 1.00 42.55 H new ATOM 0 HB3 LEU A 8 13.445 -7.681 -12.804 1.00 42.55 H new ATOM 0 HG LEU A 8 11.296 -9.104 -11.215 1.00 33.22 H new ATOM 0 HD11 LEU A 8 12.211 -11.112 -12.311 1.00 31.15 H new ATOM 0 HD12 LEU A 8 11.600 -9.933 -13.496 1.00 31.15 H new ATOM 0 HD13 LEU A 8 13.351 -10.091 -13.220 1.00 31.15 H new ATOM 0 HD21 LEU A 8 13.140 -10.350 -10.157 1.00 43.15 H new ATOM 0 HD22 LEU A 8 14.317 -9.298 -10.979 1.00 43.15 H new ATOM 0 HD23 LEU A 8 13.207 -8.615 -9.768 1.00 43.15 H new ATOM 98 N SER A 9 13.951 -4.583 -11.664 1.00 64.51 N ATOM 99 CA SER A 9 14.318 -3.318 -12.289 1.00 2.15 C ATOM 100 C SER A 9 14.713 -3.526 -13.747 1.00 63.23 C ATOM 101 O SER A 9 14.555 -4.616 -14.295 1.00 62.24 O ATOM 102 CB SER A 9 15.471 -2.663 -11.525 1.00 31.23 C ATOM 103 OG SER A 9 16.722 -3.020 -12.086 1.00 23.34 O ATOM 0 H SER A 9 14.631 -4.932 -10.988 1.00 64.51 H new ATOM 0 HA SER A 9 13.449 -2.660 -12.257 1.00 2.15 H new ATOM 0 HB2 SER A 9 15.356 -1.579 -11.545 1.00 31.23 H new ATOM 0 HB3 SER A 9 15.438 -2.968 -10.479 1.00 31.23 H new ATOM 0 HG SER A 9 17.442 -2.588 -11.581 1.00 23.34 H new ATOM 109 N GLY A 10 15.229 -2.471 -14.371 1.00 72.00 N ATOM 110 CA GLY A 10 15.639 -2.558 -15.760 1.00 53.34 C ATOM 111 C GLY A 10 16.617 -3.689 -16.007 1.00 34.31 C ATOM 112 O GLY A 10 16.426 -4.497 -16.915 1.00 30.21 O ATOM 0 H GLY A 10 15.370 -1.558 -13.939 1.00 72.00 H new ATOM 0 HA2 GLY A 10 14.759 -2.700 -16.387 1.00 53.34 H new ATOM 0 HA3 GLY A 10 16.096 -1.615 -16.060 1.00 53.34 H new ATOM 116 N GLY A 11 17.669 -3.747 -15.196 1.00 62.24 N ATOM 117 CA GLY A 11 18.666 -4.791 -15.349 1.00 1.34 C ATOM 118 C GLY A 11 18.113 -6.169 -15.047 1.00 60.41 C ATOM 119 O GLY A 11 18.327 -7.111 -15.810 1.00 2.12 O ATOM 0 H GLY A 11 17.849 -3.090 -14.436 1.00 62.24 H new ATOM 0 HA2 GLY A 11 19.053 -4.773 -16.368 1.00 1.34 H new ATOM 0 HA3 GLY A 11 19.506 -4.587 -14.686 1.00 1.34 H new ATOM 123 N GLU A 12 17.401 -6.289 -13.931 1.00 10.32 N ATOM 124 CA GLU A 12 16.818 -7.564 -13.530 1.00 2.22 C ATOM 125 C GLU A 12 15.827 -8.063 -14.578 1.00 3.54 C ATOM 126 O GLU A 12 15.673 -9.268 -14.778 1.00 52.05 O ATOM 127 CB GLU A 12 16.120 -7.427 -12.175 1.00 75.14 C ATOM 128 CG GLU A 12 16.967 -6.735 -11.121 1.00 33.55 C ATOM 129 CD GLU A 12 16.322 -6.756 -9.748 1.00 74.54 C ATOM 130 OE1 GLU A 12 15.483 -5.873 -9.474 1.00 55.25 O ATOM 131 OE2 GLU A 12 16.656 -7.655 -8.949 1.00 34.52 O1- ATOM 0 H GLU A 12 17.214 -5.519 -13.289 1.00 10.32 H new ATOM 0 HA GLU A 12 17.625 -8.292 -13.443 1.00 2.22 H new ATOM 0 HB2 GLU A 12 15.193 -6.869 -12.308 1.00 75.14 H new ATOM 0 HB3 GLU A 12 15.846 -8.419 -11.815 1.00 75.14 H new ATOM 0 HG2 GLU A 12 17.942 -7.220 -11.068 1.00 33.55 H new ATOM 0 HG3 GLU A 12 17.141 -5.702 -11.421 1.00 33.55 H new ATOM 138 N LEU A 13 15.158 -7.127 -15.242 1.00 73.43 N ATOM 139 CA LEU A 13 14.181 -7.470 -16.270 1.00 34.52 C ATOM 140 C LEU A 13 14.849 -8.183 -17.441 1.00 22.32 C ATOM 141 O LEU A 13 14.423 -9.264 -17.848 1.00 55.22 O ATOM 142 CB LEU A 13 13.468 -6.211 -16.764 1.00 52.35 C ATOM 143 CG LEU A 13 12.168 -6.435 -17.538 1.00 41.13 C ATOM 144 CD1 LEU A 13 11.136 -7.125 -16.660 1.00 10.53 C ATOM 145 CD2 LEU A 13 11.626 -5.114 -18.065 1.00 21.04 C ATOM 0 H LEU A 13 15.274 -6.125 -15.087 1.00 73.43 H new ATOM 0 HA LEU A 13 13.448 -8.145 -15.828 1.00 34.52 H new ATOM 0 HB2 LEU A 13 13.250 -5.580 -15.903 1.00 52.35 H new ATOM 0 HB3 LEU A 13 14.155 -5.655 -17.401 1.00 52.35 H new ATOM 0 HG LEU A 13 12.381 -7.082 -18.389 1.00 41.13 H new ATOM 0 HD11 LEU A 13 10.218 -7.276 -17.228 1.00 10.53 H new ATOM 0 HD12 LEU A 13 11.523 -8.090 -16.333 1.00 10.53 H new ATOM 0 HD13 LEU A 13 10.926 -6.504 -15.789 1.00 10.53 H new ATOM 0 HD21 LEU A 13 10.701 -5.293 -18.613 1.00 21.04 H new ATOM 0 HD22 LEU A 13 11.429 -4.442 -17.229 1.00 21.04 H new ATOM 0 HD23 LEU A 13 12.360 -4.659 -18.731 1.00 21.04 H new ATOM 157 N ASP A 14 15.900 -7.572 -17.976 1.00 63.33 N ATOM 158 CA ASP A 14 16.631 -8.150 -19.099 1.00 13.14 C ATOM 159 C ASP A 14 17.059 -9.581 -18.789 1.00 44.12 C ATOM 160 O ASP A 14 16.792 -10.502 -19.561 1.00 55.44 O ATOM 161 CB ASP A 14 17.856 -7.297 -19.430 1.00 25.31 C ATOM 162 CG ASP A 14 17.484 -5.957 -20.032 1.00 52.13 C ATOM 163 OD1 ASP A 14 16.509 -5.907 -20.811 1.00 63.53 O1- ATOM 164 OD2 ASP A 14 18.167 -4.957 -19.725 1.00 62.54 O ATOM 0 H ASP A 14 16.265 -6.677 -17.651 1.00 63.33 H new ATOM 0 HA ASP A 14 15.967 -8.168 -19.963 1.00 13.14 H new ATOM 0 HB2 ASP A 14 18.438 -7.135 -18.523 1.00 25.31 H new ATOM 0 HB3 ASP A 14 18.495 -7.840 -20.126 1.00 25.31 H new ATOM 169 N LYS A 15 17.728 -9.761 -17.655 1.00 52.31 N ATOM 170 CA LYS A 15 18.194 -11.079 -17.242 1.00 44.11 C ATOM 171 C LYS A 15 17.019 -12.021 -17.001 1.00 63.24 C ATOM 172 O LYS A 15 17.065 -13.193 -17.375 1.00 22.21 O ATOM 173 CB LYS A 15 19.041 -10.968 -15.972 1.00 64.13 C ATOM 174 CG LYS A 15 20.516 -11.256 -16.197 1.00 74.15 C ATOM 175 CD LYS A 15 21.395 -10.385 -15.317 1.00 10.35 C ATOM 176 CE LYS A 15 22.860 -10.779 -15.427 1.00 52.14 C ATOM 177 NZ LYS A 15 23.736 -9.598 -15.664 1.00 14.11 N1+ ATOM 0 H LYS A 15 17.960 -9.010 -17.005 1.00 52.31 H new ATOM 0 HA LYS A 15 18.806 -11.489 -18.046 1.00 44.11 H new ATOM 0 HB2 LYS A 15 18.934 -9.964 -15.561 1.00 64.13 H new ATOM 0 HB3 LYS A 15 18.654 -11.661 -15.225 1.00 64.13 H new ATOM 0 HG2 LYS A 15 20.718 -12.307 -15.988 1.00 74.15 H new ATOM 0 HG3 LYS A 15 20.765 -11.085 -17.244 1.00 74.15 H new ATOM 0 HD2 LYS A 15 21.276 -9.340 -15.603 1.00 10.35 H new ATOM 0 HD3 LYS A 15 21.071 -10.470 -14.280 1.00 10.35 H new ATOM 0 HE2 LYS A 15 23.170 -11.283 -14.512 1.00 52.14 H new ATOM 0 HE3 LYS A 15 22.984 -11.492 -16.242 1.00 52.14 H new ATOM 0 HZ1 LYS A 15 24.726 -9.908 -15.733 1.00 14.11 H new ATOM 0 HZ2 LYS A 15 23.457 -9.131 -16.550 1.00 14.11 H new ATOM 0 HZ3 LYS A 15 23.637 -8.929 -14.874 1.00 14.11 H new ATOM 191 N TRP A 16 15.969 -11.501 -16.377 1.00 74.44 N ATOM 192 CA TRP A 16 14.781 -12.297 -16.089 1.00 13.13 C ATOM 193 C TRP A 16 14.236 -12.942 -17.358 1.00 53.02 C ATOM 194 O TRP A 16 14.048 -14.157 -17.415 1.00 55.45 O ATOM 195 CB TRP A 16 13.703 -11.426 -15.441 1.00 40.55 C ATOM 196 CG TRP A 16 12.405 -12.145 -15.230 1.00 42.11 C ATOM 197 CD1 TRP A 16 11.298 -12.089 -16.027 1.00 52.23 C ATOM 198 CD2 TRP A 16 12.080 -13.026 -14.150 1.00 22.42 C ATOM 199 NE1 TRP A 16 10.304 -12.882 -15.508 1.00 32.44 N ATOM 200 CE2 TRP A 16 10.759 -13.469 -14.357 1.00 30.23 C ATOM 201 CE3 TRP A 16 12.777 -13.487 -13.029 1.00 51.44 C ATOM 202 CZ2 TRP A 16 10.123 -14.348 -13.483 1.00 44.33 C ATOM 203 CZ3 TRP A 16 12.145 -14.358 -12.163 1.00 74.23 C ATOM 204 CH2 TRP A 16 10.829 -14.782 -12.394 1.00 61.03 C ATOM 0 H TRP A 16 15.915 -10.533 -16.061 1.00 74.44 H new ATOM 0 HA TRP A 16 15.064 -13.088 -15.395 1.00 13.13 H new ATOM 0 HB2 TRP A 16 14.069 -11.062 -14.481 1.00 40.55 H new ATOM 0 HB3 TRP A 16 13.528 -10.551 -16.067 1.00 40.55 H new ATOM 0 HD1 TRP A 16 11.216 -11.507 -16.933 1.00 52.23 H new ATOM 0 HE1 TRP A 16 9.377 -13.013 -15.914 1.00 32.44 H new ATOM 0 HE3 TRP A 16 13.792 -13.168 -12.843 1.00 51.44 H new ATOM 0 HZ2 TRP A 16 9.109 -14.675 -13.659 1.00 44.33 H new ATOM 0 HZ3 TRP A 16 12.674 -14.718 -11.293 1.00 74.23 H new ATOM 0 HH2 TRP A 16 10.363 -15.465 -11.699 1.00 61.03 H new ATOM 215 N GLU A 17 13.985 -12.121 -18.373 1.00 73.13 N ATOM 216 CA GLU A 17 13.461 -12.614 -19.642 1.00 15.14 C ATOM 217 C GLU A 17 14.403 -13.645 -20.256 1.00 32.11 C ATOM 218 O GLU A 17 13.980 -14.512 -21.022 1.00 11.45 O ATOM 219 CB GLU A 17 13.250 -11.454 -20.617 1.00 43.02 C ATOM 220 CG GLU A 17 11.969 -10.675 -20.370 1.00 61.52 C ATOM 221 CD GLU A 17 11.525 -9.883 -21.584 1.00 40.50 C ATOM 222 OE1 GLU A 17 12.401 -9.404 -22.334 1.00 23.11 O1- ATOM 223 OE2 GLU A 17 10.300 -9.741 -21.784 1.00 3.12 O ATOM 0 H GLU A 17 14.136 -11.113 -18.342 1.00 73.13 H new ATOM 0 HA GLU A 17 12.502 -13.095 -19.448 1.00 15.14 H new ATOM 0 HB2 GLU A 17 14.098 -10.773 -20.547 1.00 43.02 H new ATOM 0 HB3 GLU A 17 13.237 -11.844 -21.635 1.00 43.02 H new ATOM 0 HG2 GLU A 17 11.177 -11.367 -20.083 1.00 61.52 H new ATOM 0 HG3 GLU A 17 12.118 -9.995 -19.531 1.00 61.52 H new ATOM 230 N LYS A 18 15.683 -13.545 -19.915 1.00 42.21 N ATOM 231 CA LYS A 18 16.687 -14.468 -20.431 1.00 3.31 C ATOM 232 C LYS A 18 16.592 -15.821 -19.733 1.00 40.24 C ATOM 233 O LYS A 18 16.541 -16.864 -20.386 1.00 40.33 O ATOM 234 CB LYS A 18 18.090 -13.884 -20.245 1.00 54.22 C ATOM 235 CG LYS A 18 18.941 -13.934 -21.502 1.00 54.33 C ATOM 236 CD LYS A 18 19.997 -12.841 -21.505 1.00 34.15 C ATOM 237 CE LYS A 18 21.395 -13.417 -21.344 1.00 61.43 C ATOM 238 NZ LYS A 18 22.405 -12.645 -22.119 1.00 5.11 N1+ ATOM 0 H LYS A 18 16.050 -12.833 -19.283 1.00 42.21 H new ATOM 0 HA LYS A 18 16.498 -14.613 -21.495 1.00 3.31 H new ATOM 0 HB2 LYS A 18 18.003 -12.848 -19.916 1.00 54.22 H new ATOM 0 HB3 LYS A 18 18.599 -14.429 -19.450 1.00 54.22 H new ATOM 0 HG2 LYS A 18 19.424 -14.908 -21.577 1.00 54.33 H new ATOM 0 HG3 LYS A 18 18.303 -13.827 -22.379 1.00 54.33 H new ATOM 0 HD2 LYS A 18 19.939 -12.280 -22.438 1.00 34.15 H new ATOM 0 HD3 LYS A 18 19.797 -12.138 -20.697 1.00 34.15 H new ATOM 0 HE2 LYS A 18 21.669 -13.417 -20.289 1.00 61.43 H new ATOM 0 HE3 LYS A 18 21.400 -14.456 -21.674 1.00 61.43 H new ATOM 0 HZ1 LYS A 18 23.345 -13.069 -21.983 1.00 5.11 H new ATOM 0 HZ2 LYS A 18 22.158 -12.666 -23.129 1.00 5.11 H new ATOM 0 HZ3 LYS A 18 22.418 -11.660 -21.787 1.00 5.11 H new ATOM 252 N ILE A 19 16.567 -15.796 -18.405 1.00 61.22 N ATOM 253 CA ILE A 19 16.475 -17.021 -17.621 1.00 22.15 C ATOM 254 C ILE A 19 15.311 -17.888 -18.089 1.00 2.12 C ATOM 255 O ILE A 19 14.242 -17.380 -18.427 1.00 1.42 O ATOM 256 CB ILE A 19 16.303 -16.717 -16.120 1.00 62.35 C ATOM 257 CG1 ILE A 19 17.475 -15.876 -15.611 1.00 1.14 C ATOM 258 CG2 ILE A 19 16.188 -18.011 -15.328 1.00 3.32 C ATOM 259 CD1 ILE A 19 17.051 -14.714 -14.739 1.00 61.43 C ATOM 0 H ILE A 19 16.609 -14.941 -17.850 1.00 61.22 H new ATOM 0 HA ILE A 19 17.410 -17.561 -17.770 1.00 22.15 H new ATOM 0 HB ILE A 19 15.384 -16.147 -15.982 1.00 62.35 H new ATOM 0 HG12 ILE A 19 18.152 -16.516 -15.046 1.00 1.14 H new ATOM 0 HG13 ILE A 19 18.035 -15.494 -16.464 1.00 1.14 H new ATOM 0 HG21 ILE A 19 16.067 -17.780 -14.270 1.00 3.32 H new ATOM 0 HG22 ILE A 19 15.324 -18.576 -15.677 1.00 3.32 H new ATOM 0 HG23 ILE A 19 17.091 -18.605 -15.469 1.00 3.32 H new ATOM 0 HD11 ILE A 19 17.933 -14.162 -14.414 1.00 61.43 H new ATOM 0 HD12 ILE A 19 16.398 -14.052 -15.307 1.00 61.43 H new ATOM 0 HD13 ILE A 19 16.517 -15.090 -13.867 1.00 61.43 H new ATOM 271 N ARG A 20 15.526 -19.199 -18.105 1.00 21.35 N ATOM 272 CA ARG A 20 14.495 -20.137 -18.531 1.00 33.54 C ATOM 273 C ARG A 20 13.892 -20.864 -17.332 1.00 31.11 C ATOM 274 O ARG A 20 14.521 -20.974 -16.279 1.00 31.54 O ATOM 275 CB ARG A 20 15.075 -21.153 -19.517 1.00 52.31 C ATOM 276 CG ARG A 20 15.458 -20.549 -20.858 1.00 54.43 C ATOM 277 CD ARG A 20 16.348 -21.487 -21.658 1.00 54.22 C ATOM 278 NE ARG A 20 16.900 -20.839 -22.845 1.00 14.42 N ATOM 279 CZ ARG A 20 17.607 -21.478 -23.770 1.00 32.23 C ATOM 280 NH1 ARG A 20 17.846 -22.776 -23.646 1.00 24.32 N1+ ATOM 281 NH2 ARG A 20 18.076 -20.819 -24.822 1.00 34.14 N ATOM 0 H ARG A 20 16.405 -19.636 -17.828 1.00 21.35 H new ATOM 0 HA ARG A 20 13.706 -19.570 -19.025 1.00 33.54 H new ATOM 0 HB2 ARG A 20 15.955 -21.617 -19.072 1.00 52.31 H new ATOM 0 HB3 ARG A 20 14.345 -21.946 -19.680 1.00 52.31 H new ATOM 0 HG2 ARG A 20 14.556 -20.326 -21.429 1.00 54.43 H new ATOM 0 HG3 ARG A 20 15.976 -19.603 -20.698 1.00 54.43 H new ATOM 0 HD2 ARG A 20 17.163 -21.840 -21.026 1.00 54.22 H new ATOM 0 HD3 ARG A 20 15.774 -22.364 -21.958 1.00 54.22 H new ATOM 0 HE ARG A 20 16.733 -19.841 -22.970 1.00 14.42 H new ATOM 0 HH11 ARG A 20 17.487 -23.286 -22.839 1.00 24.32 H new ATOM 0 HH12 ARG A 20 18.389 -23.265 -24.358 1.00 24.32 H new ATOM 0 HH21 ARG A 20 17.894 -19.820 -24.921 1.00 34.14 H new ATOM 0 HH22 ARG A 20 18.619 -21.311 -25.532 1.00 34.14 H new ATOM 295 N LEU A 21 12.670 -21.358 -17.499 1.00 50.51 N ATOM 296 CA LEU A 21 11.981 -22.074 -16.431 1.00 2.41 C ATOM 297 C LEU A 21 12.594 -23.454 -16.217 1.00 42.22 C ATOM 298 O LEU A 21 12.569 -23.990 -15.109 1.00 61.34 O ATOM 299 CB LEU A 21 10.493 -22.209 -16.758 1.00 60.10 C ATOM 300 CG LEU A 21 9.776 -20.922 -17.168 1.00 30.22 C ATOM 301 CD1 LEU A 21 8.830 -21.185 -18.329 1.00 41.23 C ATOM 302 CD2 LEU A 21 9.021 -20.333 -15.985 1.00 51.23 C ATOM 0 H LEU A 21 12.136 -21.276 -18.364 1.00 50.51 H new ATOM 0 HA LEU A 21 12.094 -21.500 -15.511 1.00 2.41 H new ATOM 0 HB2 LEU A 21 10.383 -22.935 -17.564 1.00 60.10 H new ATOM 0 HB3 LEU A 21 9.986 -22.622 -15.886 1.00 60.10 H new ATOM 0 HG LEU A 21 10.524 -20.199 -17.493 1.00 30.22 H new ATOM 0 HD11 LEU A 21 8.329 -20.258 -18.607 1.00 41.23 H new ATOM 0 HD12 LEU A 21 9.396 -21.561 -19.181 1.00 41.23 H new ATOM 0 HD13 LEU A 21 8.086 -21.925 -18.032 1.00 41.23 H new ATOM 0 HD21 LEU A 21 8.517 -19.418 -16.295 1.00 51.23 H new ATOM 0 HD22 LEU A 21 8.283 -21.052 -15.630 1.00 51.23 H new ATOM 0 HD23 LEU A 21 9.722 -20.107 -15.182 1.00 51.23 H new ATOM 314 N ARG A 22 13.146 -24.022 -17.284 1.00 61.23 N ATOM 315 CA ARG A 22 13.767 -25.339 -17.213 1.00 72.52 C ATOM 316 C ARG A 22 15.048 -25.382 -18.041 1.00 72.21 C ATOM 317 O ARG A 22 15.235 -24.609 -18.981 1.00 32.30 O ATOM 318 CB ARG A 22 12.793 -26.413 -17.704 1.00 44.43 C ATOM 319 CG ARG A 22 12.074 -26.040 -18.991 1.00 5.04 C ATOM 320 CD ARG A 22 10.602 -25.751 -18.742 1.00 43.32 C ATOM 321 NE ARG A 22 9.765 -26.178 -19.860 1.00 15.25 N ATOM 322 CZ ARG A 22 9.413 -27.441 -20.074 1.00 44.10 C ATOM 323 NH1 ARG A 22 9.825 -28.396 -19.251 1.00 41.35 N1+ ATOM 324 NH2 ARG A 22 8.648 -27.751 -21.113 1.00 3.21 N ATOM 0 H ARG A 22 13.176 -23.591 -18.208 1.00 61.23 H new ATOM 0 HA ARG A 22 14.021 -25.537 -16.172 1.00 72.52 H new ATOM 0 HB2 ARG A 22 13.339 -27.343 -17.859 1.00 44.43 H new ATOM 0 HB3 ARG A 22 12.053 -26.604 -16.926 1.00 44.43 H new ATOM 0 HG2 ARG A 22 12.548 -25.164 -19.433 1.00 5.04 H new ATOM 0 HG3 ARG A 22 12.170 -26.852 -19.711 1.00 5.04 H new ATOM 0 HD2 ARG A 22 10.281 -26.260 -17.833 1.00 43.32 H new ATOM 0 HD3 ARG A 22 10.465 -24.683 -18.574 1.00 43.32 H new ATOM 0 HE ARG A 22 9.433 -25.468 -20.512 1.00 15.25 H new ATOM 0 HH11 ARG A 22 10.413 -28.161 -18.452 1.00 41.35 H new ATOM 0 HH12 ARG A 22 9.553 -29.365 -19.417 1.00 41.35 H new ATOM 0 HH21 ARG A 22 8.330 -27.019 -21.748 1.00 3.21 H new ATOM 0 HH22 ARG A 22 8.378 -28.721 -21.276 1.00 3.21 H new ATOM 338 N PRO A 23 15.952 -26.306 -17.685 1.00 23.41 N ATOM 339 CA PRO A 23 17.231 -26.472 -18.382 1.00 23.21 C ATOM 340 C PRO A 23 17.057 -27.042 -19.785 1.00 71.15 C ATOM 341 O PRO A 23 17.766 -26.658 -20.715 1.00 13.45 O ATOM 342 CB PRO A 23 17.993 -27.460 -17.495 1.00 3.34 C ATOM 343 CG PRO A 23 16.932 -28.224 -16.780 1.00 45.15 C ATOM 344 CD PRO A 23 15.796 -27.261 -16.575 1.00 31.13 C ATOM 0 HA PRO A 23 17.744 -25.521 -18.523 1.00 23.21 H new ATOM 0 HB2 PRO A 23 18.624 -28.121 -18.090 1.00 3.34 H new ATOM 0 HB3 PRO A 23 18.647 -26.940 -16.795 1.00 3.34 H new ATOM 0 HG2 PRO A 23 16.612 -29.087 -17.364 1.00 45.15 H new ATOM 0 HG3 PRO A 23 17.299 -28.603 -15.826 1.00 45.15 H new ATOM 0 HD2 PRO A 23 14.830 -27.765 -16.612 1.00 31.13 H new ATOM 0 HD3 PRO A 23 15.860 -26.765 -15.606 1.00 31.13 H new ATOM 352 N GLY A 24 16.108 -27.962 -19.932 1.00 53.44 N ATOM 353 CA GLY A 24 15.857 -28.569 -21.226 1.00 64.24 C ATOM 354 C GLY A 24 14.509 -28.179 -21.799 1.00 43.11 C ATOM 355 O GLY A 24 13.676 -29.038 -22.084 1.00 40.24 O ATOM 0 H GLY A 24 15.509 -28.298 -19.178 1.00 53.44 H new ATOM 0 HA2 GLY A 24 16.643 -28.273 -21.921 1.00 64.24 H new ATOM 0 HA3 GLY A 24 15.908 -29.654 -21.131 1.00 64.24 H new ATOM 359 N GLY A 25 14.293 -26.878 -21.967 1.00 2.44 N ATOM 360 CA GLY A 25 13.034 -26.398 -22.506 1.00 63.24 C ATOM 361 C GLY A 25 13.228 -25.430 -23.657 1.00 31.04 C ATOM 362 O GLY A 25 14.358 -25.139 -24.050 1.00 73.54 O ATOM 0 H GLY A 25 14.968 -26.148 -21.739 1.00 2.44 H new ATOM 0 HA2 GLY A 25 12.440 -27.247 -22.845 1.00 63.24 H new ATOM 0 HA3 GLY A 25 12.467 -25.908 -21.715 1.00 63.24 H new ATOM 366 N LYS A 26 12.123 -24.930 -24.199 1.00 10.30 N ATOM 367 CA LYS A 26 12.175 -23.989 -25.312 1.00 14.24 C ATOM 368 C LYS A 26 11.403 -22.715 -24.983 1.00 10.30 C ATOM 369 O LYS A 26 10.883 -22.044 -25.875 1.00 2.42 O ATOM 370 CB LYS A 26 11.603 -24.632 -26.577 1.00 52.22 C ATOM 371 CG LYS A 26 12.186 -24.070 -27.862 1.00 4.21 C ATOM 372 CD LYS A 26 11.989 -25.023 -29.028 1.00 75.42 C ATOM 373 CE LYS A 26 13.120 -24.910 -30.039 1.00 33.42 C ATOM 374 NZ LYS A 26 14.016 -26.099 -30.003 1.00 71.14 N1+ ATOM 0 H LYS A 26 11.180 -25.161 -23.886 1.00 10.30 H new ATOM 0 HA LYS A 26 13.219 -23.726 -25.485 1.00 14.24 H new ATOM 0 HB2 LYS A 26 11.787 -25.706 -26.544 1.00 52.22 H new ATOM 0 HB3 LYS A 26 10.522 -24.494 -26.588 1.00 52.22 H new ATOM 0 HG2 LYS A 26 11.714 -23.114 -28.089 1.00 4.21 H new ATOM 0 HG3 LYS A 26 13.250 -23.876 -27.725 1.00 4.21 H new ATOM 0 HD2 LYS A 26 11.932 -26.046 -28.657 1.00 75.42 H new ATOM 0 HD3 LYS A 26 11.039 -24.809 -29.518 1.00 75.42 H new ATOM 0 HE2 LYS A 26 12.703 -24.800 -31.040 1.00 33.42 H new ATOM 0 HE3 LYS A 26 13.701 -24.011 -29.835 1.00 33.42 H new ATOM 0 HZ1 LYS A 26 14.774 -25.984 -30.706 1.00 71.14 H new ATOM 0 HZ2 LYS A 26 14.434 -26.190 -29.055 1.00 71.14 H new ATOM 0 HZ3 LYS A 26 13.467 -26.954 -30.223 1.00 71.14 H new ATOM 388 N LYS A 27 11.333 -22.386 -23.698 1.00 2.35 N ATOM 389 CA LYS A 27 10.628 -21.191 -23.250 1.00 53.54 C ATOM 390 C LYS A 27 11.411 -20.474 -22.155 1.00 44.25 C ATOM 391 O LYS A 27 12.043 -21.112 -21.313 1.00 55.24 O ATOM 392 CB LYS A 27 9.234 -21.558 -22.737 1.00 73.22 C ATOM 393 CG LYS A 27 8.254 -20.397 -22.752 1.00 63.32 C ATOM 394 CD LYS A 27 7.009 -20.708 -21.940 1.00 35.24 C ATOM 395 CE LYS A 27 5.743 -20.321 -22.689 1.00 60.13 C ATOM 396 NZ LYS A 27 4.637 -21.289 -22.448 1.00 64.00 N1+ ATOM 0 H LYS A 27 11.757 -22.931 -22.947 1.00 2.35 H new ATOM 0 HA LYS A 27 10.530 -20.518 -24.102 1.00 53.54 H new ATOM 0 HB2 LYS A 27 8.834 -22.368 -23.346 1.00 73.22 H new ATOM 0 HB3 LYS A 27 9.319 -21.937 -21.719 1.00 73.22 H new ATOM 0 HG2 LYS A 27 8.738 -19.506 -22.351 1.00 63.32 H new ATOM 0 HG3 LYS A 27 7.972 -20.171 -23.780 1.00 63.32 H new ATOM 0 HD2 LYS A 27 6.983 -21.772 -21.705 1.00 35.24 H new ATOM 0 HD3 LYS A 27 7.049 -20.173 -20.991 1.00 35.24 H new ATOM 0 HE2 LYS A 27 5.428 -19.325 -22.378 1.00 60.13 H new ATOM 0 HE3 LYS A 27 5.954 -20.270 -23.757 1.00 60.13 H new ATOM 0 HZ1 LYS A 27 3.792 -20.990 -22.976 1.00 64.00 H new ATOM 0 HZ2 LYS A 27 4.928 -22.235 -22.768 1.00 64.00 H new ATOM 0 HZ3 LYS A 27 4.417 -21.319 -21.432 1.00 64.00 H new ATOM 410 N GLN A 28 11.365 -19.146 -22.173 1.00 51.34 N ATOM 411 CA GLN A 28 12.070 -18.344 -21.181 1.00 4.41 C ATOM 412 C GLN A 28 11.106 -17.808 -20.128 1.00 33.30 C ATOM 413 O GLN A 28 9.918 -18.132 -20.138 1.00 53.34 O ATOM 414 CB GLN A 28 12.800 -17.182 -21.858 1.00 65.51 C ATOM 415 CG GLN A 28 13.561 -17.589 -23.110 1.00 24.34 C ATOM 416 CD GLN A 28 12.788 -17.304 -24.382 1.00 35.53 C ATOM 417 OE1 GLN A 28 12.360 -16.175 -24.622 1.00 34.20 O ATOM 418 NE2 GLN A 28 12.604 -18.330 -25.205 1.00 54.22 N ATOM 0 H GLN A 28 10.847 -18.603 -22.864 1.00 51.34 H new ATOM 0 HA GLN A 28 12.800 -18.985 -20.687 1.00 4.41 H new ATOM 0 HB2 GLN A 28 12.075 -16.410 -22.118 1.00 65.51 H new ATOM 0 HB3 GLN A 28 13.497 -16.738 -21.147 1.00 65.51 H new ATOM 0 HG2 GLN A 28 14.512 -17.058 -23.141 1.00 24.34 H new ATOM 0 HG3 GLN A 28 13.792 -18.653 -23.060 1.00 24.34 H new ATOM 0 HE21 GLN A 28 12.977 -19.249 -24.966 1.00 54.22 H new ATOM 0 HE22 GLN A 28 12.090 -18.199 -26.076 1.00 54.22 H new ATOM 427 N TYR A 29 11.624 -16.989 -19.220 1.00 40.32 N ATOM 428 CA TYR A 29 10.809 -16.411 -18.158 1.00 40.33 C ATOM 429 C TYR A 29 10.116 -15.138 -18.635 1.00 74.12 C ATOM 430 O TYR A 29 10.633 -14.417 -19.488 1.00 42.40 O ATOM 431 CB TYR A 29 11.672 -16.106 -16.933 1.00 2.12 C ATOM 432 CG TYR A 29 11.602 -17.171 -15.862 1.00 75.33 C ATOM 433 CD1 TYR A 29 10.508 -17.255 -15.009 1.00 72.13 C ATOM 434 CD2 TYR A 29 12.628 -18.093 -15.703 1.00 25.30 C ATOM 435 CE1 TYR A 29 10.439 -18.226 -14.029 1.00 60.33 C ATOM 436 CE2 TYR A 29 12.568 -19.069 -14.727 1.00 14.23 C ATOM 437 CZ TYR A 29 11.471 -19.131 -13.892 1.00 61.13 C ATOM 438 OH TYR A 29 11.407 -20.100 -12.918 1.00 23.44 O ATOM 0 H TYR A 29 12.605 -16.710 -19.198 1.00 40.32 H new ATOM 0 HA TYR A 29 10.045 -17.139 -17.884 1.00 40.33 H new ATOM 0 HB2 TYR A 29 12.708 -15.989 -17.249 1.00 2.12 H new ATOM 0 HB3 TYR A 29 11.359 -15.153 -16.507 1.00 2.12 H new ATOM 0 HD1 TYR A 29 9.698 -16.549 -15.114 1.00 72.13 H new ATOM 0 HD2 TYR A 29 13.488 -18.046 -16.354 1.00 25.30 H new ATOM 0 HE1 TYR A 29 9.582 -18.276 -13.374 1.00 60.33 H new ATOM 0 HE2 TYR A 29 13.375 -19.779 -14.618 1.00 14.23 H new ATOM 0 HH TYR A 29 12.084 -20.786 -13.094 1.00 23.44 H new ATOM 448 N LYS A 30 8.940 -14.868 -18.078 1.00 21.44 N ATOM 449 CA LYS A 30 8.174 -13.683 -18.442 1.00 51.32 C ATOM 450 C LYS A 30 7.375 -13.163 -17.251 1.00 22.50 C ATOM 451 O LYS A 30 7.246 -13.845 -16.233 1.00 11.42 O ATOM 452 CB LYS A 30 7.230 -13.998 -19.604 1.00 55.05 C ATOM 453 CG LYS A 30 7.570 -13.254 -20.884 1.00 1.20 C ATOM 454 CD LYS A 30 6.700 -13.710 -22.043 1.00 61.21 C ATOM 455 CE LYS A 30 5.646 -12.671 -22.392 1.00 42.41 C ATOM 456 NZ LYS A 30 4.808 -12.313 -21.214 1.00 44.00 N1+ ATOM 0 H LYS A 30 8.497 -15.455 -17.372 1.00 21.44 H new ATOM 0 HA LYS A 30 8.876 -12.909 -18.751 1.00 51.32 H new ATOM 0 HB2 LYS A 30 7.254 -15.070 -19.800 1.00 55.05 H new ATOM 0 HB3 LYS A 30 6.210 -13.750 -19.310 1.00 55.05 H new ATOM 0 HG2 LYS A 30 7.439 -12.183 -20.729 1.00 1.20 H new ATOM 0 HG3 LYS A 30 8.620 -13.414 -21.131 1.00 1.20 H new ATOM 0 HD2 LYS A 30 7.325 -13.902 -22.915 1.00 61.21 H new ATOM 0 HD3 LYS A 30 6.214 -14.651 -21.786 1.00 61.21 H new ATOM 0 HE2 LYS A 30 6.133 -11.775 -22.777 1.00 42.41 H new ATOM 0 HE3 LYS A 30 5.008 -13.054 -23.188 1.00 42.41 H new ATOM 0 HZ1 LYS A 30 3.932 -11.854 -21.537 1.00 44.00 H new ATOM 0 HZ2 LYS A 30 4.571 -13.175 -20.682 1.00 44.00 H new ATOM 0 HZ3 LYS A 30 5.334 -11.660 -20.599 1.00 44.00 H new ATOM 470 N LEU A 31 6.840 -11.955 -17.385 1.00 1.01 N ATOM 471 CA LEU A 31 6.052 -11.345 -16.320 1.00 10.14 C ATOM 472 C LEU A 31 4.931 -12.276 -15.870 1.00 21.44 C ATOM 473 O LEU A 31 4.502 -12.238 -14.716 1.00 41.32 O ATOM 474 CB LEU A 31 5.465 -10.013 -16.791 1.00 64.11 C ATOM 475 CG LEU A 31 6.210 -8.755 -16.343 1.00 23.34 C ATOM 476 CD1 LEU A 31 7.585 -8.690 -16.989 1.00 24.31 C ATOM 477 CD2 LEU A 31 5.403 -7.510 -16.677 1.00 14.44 C ATOM 0 H LEU A 31 6.937 -11.378 -18.221 1.00 1.01 H new ATOM 0 HA LEU A 31 6.712 -11.165 -15.472 1.00 10.14 H new ATOM 0 HB2 LEU A 31 5.428 -10.020 -17.880 1.00 64.11 H new ATOM 0 HB3 LEU A 31 4.436 -9.947 -16.437 1.00 64.11 H new ATOM 0 HG LEU A 31 6.341 -8.800 -15.262 1.00 23.34 H new ATOM 0 HD11 LEU A 31 8.100 -7.788 -16.658 1.00 24.31 H new ATOM 0 HD12 LEU A 31 8.165 -9.566 -16.699 1.00 24.31 H new ATOM 0 HD13 LEU A 31 7.477 -8.669 -18.073 1.00 24.31 H new ATOM 0 HD21 LEU A 31 5.949 -6.624 -16.351 1.00 14.44 H new ATOM 0 HD22 LEU A 31 5.240 -7.460 -17.754 1.00 14.44 H new ATOM 0 HD23 LEU A 31 4.441 -7.552 -16.166 1.00 14.44 H new ATOM 489 N LYS A 32 4.462 -13.115 -16.787 1.00 72.11 N ATOM 490 CA LYS A 32 3.393 -14.060 -16.485 1.00 62.13 C ATOM 491 C LYS A 32 3.724 -14.876 -15.240 1.00 0.14 C ATOM 492 O LYS A 32 2.835 -15.238 -14.468 1.00 70.45 O ATOM 493 CB LYS A 32 3.161 -14.996 -17.674 1.00 0.31 C ATOM 494 CG LYS A 32 1.699 -15.339 -17.902 1.00 10.45 C ATOM 495 CD LYS A 32 1.425 -16.811 -17.645 1.00 0.02 C ATOM 496 CE LYS A 32 -0.052 -17.066 -17.387 1.00 31.40 C ATOM 497 NZ LYS A 32 -0.717 -17.704 -18.557 1.00 12.01 N1+ ATOM 0 H LYS A 32 4.806 -13.160 -17.746 1.00 72.11 H new ATOM 0 HA LYS A 32 2.483 -13.492 -16.294 1.00 62.13 H new ATOM 0 HB2 LYS A 32 3.561 -14.531 -18.575 1.00 0.31 H new ATOM 0 HB3 LYS A 32 3.721 -15.917 -17.515 1.00 0.31 H new ATOM 0 HG2 LYS A 32 1.075 -14.732 -17.246 1.00 10.45 H new ATOM 0 HG3 LYS A 32 1.421 -15.090 -18.926 1.00 10.45 H new ATOM 0 HD2 LYS A 32 1.752 -17.398 -18.503 1.00 0.02 H new ATOM 0 HD3 LYS A 32 2.008 -17.147 -16.788 1.00 0.02 H new ATOM 0 HE2 LYS A 32 -0.163 -17.707 -16.512 1.00 31.40 H new ATOM 0 HE3 LYS A 32 -0.548 -16.123 -17.156 1.00 31.40 H new ATOM 0 HZ1 LYS A 32 -1.722 -17.861 -18.342 1.00 12.01 H new ATOM 0 HZ2 LYS A 32 -0.634 -17.081 -19.386 1.00 12.01 H new ATOM 0 HZ3 LYS A 32 -0.260 -18.616 -18.762 1.00 12.01 H new ATOM 511 N HIS A 33 5.008 -15.161 -15.048 1.00 3.40 N ATOM 512 CA HIS A 33 5.457 -15.932 -13.894 1.00 22.31 C ATOM 513 C HIS A 33 5.582 -15.041 -12.661 1.00 75.41 C ATOM 514 O HIS A 33 5.367 -15.560 -11.565 1.00 64.00 O ATOM 515 CB HIS A 33 6.800 -16.601 -14.191 1.00 51.32 C ATOM 516 CG HIS A 33 6.823 -17.347 -15.490 1.00 54.31 C ATOM 517 ND1 HIS A 33 7.684 -17.037 -16.521 1.00 23.21 N ATOM 518 CD2 HIS A 33 6.083 -18.395 -15.922 1.00 41.32 C ATOM 519 CE1 HIS A 33 7.473 -17.862 -17.531 1.00 20.01 C ATOM 520 NE2 HIS A 33 6.506 -18.696 -17.192 1.00 65.45 N ATOM 0 H HIS A 33 5.756 -14.869 -15.677 1.00 3.40 H new ATOM 0 HA HIS A 33 4.713 -16.702 -13.691 1.00 22.31 H new ATOM 0 HB2 HIS A 33 7.581 -15.840 -14.204 1.00 51.32 H new ATOM 0 HB3 HIS A 33 7.040 -17.290 -13.381 1.00 51.32 H new ATOM 0 HD2 HIS A 33 5.304 -18.900 -15.370 1.00 41.32 H new ATOM 0 HE1 HIS A 33 8.001 -17.856 -18.473 1.00 20.01 H new ATOM 0 HE2 HIS A 33 6.134 -19.443 -17.779 1.00 65.45 H new ATOM 528 N ILE A 34 5.910 -13.762 -12.805 1.00 12.11 N ATOM 529 CA ILE A 34 6.039 -12.873 -11.657 1.00 22.32 C ATOM 530 C ILE A 34 4.674 -12.529 -11.072 1.00 12.24 C ATOM 531 O ILE A 34 4.518 -12.415 -9.856 1.00 21.43 O ATOM 532 CB ILE A 34 6.768 -11.570 -12.033 1.00 54.52 C ATOM 533 CG1 ILE A 34 8.103 -11.883 -12.710 1.00 63.23 C ATOM 534 CG2 ILE A 34 6.983 -10.708 -10.798 1.00 50.42 C ATOM 535 CD1 ILE A 34 8.801 -10.661 -13.266 1.00 75.33 C ATOM 0 H ILE A 34 6.091 -13.318 -13.705 1.00 12.11 H new ATOM 0 HA ILE A 34 6.627 -13.406 -10.910 1.00 22.32 H new ATOM 0 HB ILE A 34 6.148 -11.014 -12.736 1.00 54.52 H new ATOM 0 HG12 ILE A 34 8.760 -12.371 -11.990 1.00 63.23 H new ATOM 0 HG13 ILE A 34 7.933 -12.594 -13.519 1.00 63.23 H new ATOM 0 HG21 ILE A 34 7.499 -9.791 -11.080 1.00 50.42 H new ATOM 0 HG22 ILE A 34 6.018 -10.460 -10.355 1.00 50.42 H new ATOM 0 HG23 ILE A 34 7.585 -11.255 -10.073 1.00 50.42 H new ATOM 0 HD11 ILE A 34 9.741 -10.959 -13.731 1.00 75.33 H new ATOM 0 HD12 ILE A 34 8.163 -10.184 -14.010 1.00 75.33 H new ATOM 0 HD13 ILE A 34 9.003 -9.958 -12.458 1.00 75.33 H new ATOM 547 N VAL A 35 3.686 -12.365 -11.946 1.00 33.14 N ATOM 548 CA VAL A 35 2.332 -12.037 -11.516 1.00 53.40 C ATOM 549 C VAL A 35 1.612 -13.268 -10.977 1.00 4.35 C ATOM 550 O VAL A 35 0.906 -13.195 -9.971 1.00 71.31 O ATOM 551 CB VAL A 35 1.506 -11.438 -12.670 1.00 62.05 C ATOM 552 CG1 VAL A 35 0.089 -11.131 -12.211 1.00 3.34 C ATOM 553 CG2 VAL A 35 2.181 -10.189 -13.216 1.00 4.33 C ATOM 0 H VAL A 35 3.798 -12.454 -12.956 1.00 33.14 H new ATOM 0 HA VAL A 35 2.424 -11.297 -10.721 1.00 53.40 H new ATOM 0 HB VAL A 35 1.450 -12.173 -13.473 1.00 62.05 H new ATOM 0 HG11 VAL A 35 -0.479 -10.709 -13.040 1.00 3.34 H new ATOM 0 HG12 VAL A 35 -0.391 -12.049 -11.873 1.00 3.34 H new ATOM 0 HG13 VAL A 35 0.120 -10.415 -11.390 1.00 3.34 H new ATOM 0 HG21 VAL A 35 1.584 -9.779 -14.031 1.00 4.33 H new ATOM 0 HG22 VAL A 35 2.270 -9.447 -12.422 1.00 4.33 H new ATOM 0 HG23 VAL A 35 3.174 -10.444 -13.587 1.00 4.33 H new ATOM 563 N TRP A 36 1.797 -14.397 -11.651 1.00 4.31 N ATOM 564 CA TRP A 36 1.166 -15.645 -11.239 1.00 30.23 C ATOM 565 C TRP A 36 1.590 -16.029 -9.825 1.00 61.04 C ATOM 566 O TRP A 36 0.750 -16.230 -8.949 1.00 23.23 O ATOM 567 CB TRP A 36 1.523 -16.768 -12.214 1.00 44.33 C ATOM 568 CG TRP A 36 1.018 -18.112 -11.784 1.00 52.45 C ATOM 569 CD1 TRP A 36 -0.237 -18.615 -11.977 1.00 60.22 C ATOM 570 CD2 TRP A 36 1.755 -19.122 -11.088 1.00 2.01 C ATOM 571 NE1 TRP A 36 -0.324 -19.878 -11.442 1.00 40.13 N ATOM 572 CE2 TRP A 36 0.885 -20.212 -10.892 1.00 31.22 C ATOM 573 CE3 TRP A 36 3.066 -19.213 -10.613 1.00 2.12 C ATOM 574 CZ2 TRP A 36 1.285 -21.376 -10.240 1.00 41.32 C ATOM 575 CZ3 TRP A 36 3.462 -20.368 -9.966 1.00 34.20 C ATOM 576 CH2 TRP A 36 2.574 -21.437 -9.785 1.00 61.41 C ATOM 0 H TRP A 36 2.379 -14.474 -12.485 1.00 4.31 H new ATOM 0 HA TRP A 36 0.086 -15.496 -11.247 1.00 30.23 H new ATOM 0 HB2 TRP A 36 1.113 -16.531 -13.196 1.00 44.33 H new ATOM 0 HB3 TRP A 36 2.607 -16.813 -12.324 1.00 44.33 H new ATOM 0 HD1 TRP A 36 -1.042 -18.097 -12.476 1.00 60.22 H new ATOM 0 HE1 TRP A 36 -1.154 -20.470 -11.453 1.00 40.13 H new ATOM 0 HE3 TRP A 36 3.758 -18.395 -10.749 1.00 2.12 H new ATOM 0 HZ2 TRP A 36 0.602 -22.201 -10.099 1.00 41.32 H new ATOM 0 HZ3 TRP A 36 4.473 -20.448 -9.594 1.00 34.20 H new ATOM 0 HH2 TRP A 36 2.914 -22.327 -9.276 1.00 61.41 H new ATOM 587 N ALA A 37 2.898 -16.129 -9.611 1.00 50.51 N ATOM 588 CA ALA A 37 3.433 -16.486 -8.303 1.00 73.01 C ATOM 589 C ALA A 37 2.944 -15.521 -7.228 1.00 21.30 C ATOM 590 O ALA A 37 2.870 -15.874 -6.051 1.00 72.41 O ATOM 591 CB ALA A 37 4.954 -16.509 -8.343 1.00 15.30 C ATOM 0 H ALA A 37 3.607 -15.968 -10.327 1.00 50.51 H new ATOM 0 HA ALA A 37 3.072 -17.483 -8.050 1.00 73.01 H new ATOM 0 HB1 ALA A 37 5.340 -16.777 -7.359 1.00 15.30 H new ATOM 0 HB2 ALA A 37 5.288 -17.243 -9.076 1.00 15.30 H new ATOM 0 HB3 ALA A 37 5.326 -15.523 -8.622 1.00 15.30 H new ATOM 597 N SER A 38 2.613 -14.302 -7.640 1.00 13.21 N ATOM 598 CA SER A 38 2.135 -13.284 -6.711 1.00 25.43 C ATOM 599 C SER A 38 0.765 -13.658 -6.153 1.00 43.10 C ATOM 600 O SER A 38 0.506 -13.503 -4.960 1.00 34.44 O ATOM 601 CB SER A 38 2.062 -11.923 -7.405 1.00 62.22 C ATOM 602 OG SER A 38 2.997 -11.016 -6.848 1.00 41.42 O ATOM 0 H SER A 38 2.667 -13.995 -8.611 1.00 13.21 H new ATOM 0 HA SER A 38 2.841 -13.223 -5.883 1.00 25.43 H new ATOM 0 HB2 SER A 38 2.258 -12.044 -8.470 1.00 62.22 H new ATOM 0 HB3 SER A 38 1.055 -11.516 -7.310 1.00 62.22 H new ATOM 0 HG SER A 38 2.932 -10.154 -7.310 1.00 41.42 H new ATOM 608 N ARG A 39 -0.108 -14.150 -7.026 1.00 24.11 N ATOM 609 CA ARG A 39 -1.452 -14.545 -6.622 1.00 42.23 C ATOM 610 C ARG A 39 -1.413 -15.801 -5.757 1.00 3.34 C ATOM 611 O ARG A 39 -2.140 -15.908 -4.770 1.00 74.31 O ATOM 612 CB ARG A 39 -2.326 -14.788 -7.854 1.00 32.42 C ATOM 613 CG ARG A 39 -2.957 -13.524 -8.412 1.00 54.53 C ATOM 614 CD ARG A 39 -2.615 -13.332 -9.882 1.00 21.05 C ATOM 615 NE ARG A 39 -2.824 -11.954 -10.317 1.00 52.12 N ATOM 616 CZ ARG A 39 -4.024 -11.418 -10.509 1.00 15.14 C ATOM 617 NH1 ARG A 39 -5.117 -12.140 -10.303 1.00 71.33 N1+ ATOM 618 NH2 ARG A 39 -4.133 -10.156 -10.906 1.00 35.53 N ATOM 0 H ARG A 39 0.091 -14.285 -8.017 1.00 24.11 H new ATOM 0 HA ARG A 39 -1.881 -13.734 -6.034 1.00 42.23 H new ATOM 0 HB2 ARG A 39 -1.722 -15.256 -8.631 1.00 32.42 H new ATOM 0 HB3 ARG A 39 -3.115 -15.494 -7.596 1.00 32.42 H new ATOM 0 HG2 ARG A 39 -4.039 -13.573 -8.293 1.00 54.53 H new ATOM 0 HG3 ARG A 39 -2.612 -12.662 -7.842 1.00 54.53 H new ATOM 0 HD2 ARG A 39 -1.575 -13.612 -10.052 1.00 21.05 H new ATOM 0 HD3 ARG A 39 -3.228 -14.000 -10.487 1.00 21.05 H new ATOM 0 HE ARG A 39 -2.004 -11.371 -10.483 1.00 52.12 H new ATOM 0 HH11 ARG A 39 -5.037 -13.110 -9.996 1.00 71.33 H new ATOM 0 HH12 ARG A 39 -6.037 -11.726 -10.451 1.00 71.33 H new ATOM 0 HH21 ARG A 39 -3.295 -9.597 -11.064 1.00 35.53 H new ATOM 0 HH22 ARG A 39 -5.055 -9.745 -11.053 1.00 35.53 H new ATOM 632 N GLU A 40 -0.559 -16.747 -6.134 1.00 21.21 N ATOM 633 CA GLU A 40 -0.427 -17.996 -5.392 1.00 42.32 C ATOM 634 C GLU A 40 0.249 -17.759 -4.045 1.00 31.05 C ATOM 635 O GLU A 40 0.045 -18.515 -3.094 1.00 21.13 O ATOM 636 CB GLU A 40 0.374 -19.015 -6.205 1.00 24.13 C ATOM 637 CG GLU A 40 -0.248 -20.401 -6.226 1.00 12.00 C ATOM 638 CD GLU A 40 -1.555 -20.442 -6.993 1.00 54.44 C ATOM 639 OE1 GLU A 40 -1.608 -19.880 -8.107 1.00 41.23 O1- ATOM 640 OE2 GLU A 40 -2.526 -21.036 -6.479 1.00 52.13 O ATOM 0 H GLU A 40 0.051 -16.673 -6.948 1.00 21.21 H new ATOM 0 HA GLU A 40 -1.427 -18.390 -5.213 1.00 42.32 H new ATOM 0 HB2 GLU A 40 0.472 -18.654 -7.229 1.00 24.13 H new ATOM 0 HB3 GLU A 40 1.381 -19.084 -5.794 1.00 24.13 H new ATOM 0 HG2 GLU A 40 0.454 -21.104 -6.675 1.00 12.00 H new ATOM 0 HG3 GLU A 40 -0.421 -20.733 -5.202 1.00 12.00 H new ATOM 647 N LEU A 41 1.054 -16.705 -3.970 1.00 62.23 N ATOM 648 CA LEU A 41 1.761 -16.368 -2.740 1.00 3.23 C ATOM 649 C LEU A 41 0.787 -15.902 -1.662 1.00 63.12 C ATOM 650 O LEU A 41 0.756 -16.452 -0.562 1.00 1.44 O ATOM 651 CB LEU A 41 2.802 -15.279 -3.008 1.00 55.21 C ATOM 652 CG LEU A 41 4.230 -15.763 -3.259 1.00 42.53 C ATOM 653 CD1 LEU A 41 5.147 -14.587 -3.560 1.00 54.23 C ATOM 654 CD2 LEU A 41 4.745 -16.550 -2.063 1.00 12.42 C ATOM 0 H LEU A 41 1.233 -16.069 -4.747 1.00 62.23 H new ATOM 0 HA LEU A 41 2.267 -17.265 -2.384 1.00 3.23 H new ATOM 0 HB2 LEU A 41 2.479 -14.700 -3.873 1.00 55.21 H new ATOM 0 HB3 LEU A 41 2.815 -14.599 -2.156 1.00 55.21 H new ATOM 0 HG LEU A 41 4.222 -16.423 -4.126 1.00 42.53 H new ATOM 0 HD11 LEU A 41 6.159 -14.951 -3.736 1.00 54.23 H new ATOM 0 HD12 LEU A 41 4.790 -14.065 -4.448 1.00 54.23 H new ATOM 0 HD13 LEU A 41 5.150 -13.902 -2.712 1.00 54.23 H new ATOM 0 HD21 LEU A 41 5.763 -16.886 -2.260 1.00 12.42 H new ATOM 0 HD22 LEU A 41 4.738 -15.913 -1.178 1.00 12.42 H new ATOM 0 HD23 LEU A 41 4.104 -17.415 -1.893 1.00 12.42 H new ATOM 666 N GLU A 42 -0.007 -14.887 -1.988 1.00 72.43 N ATOM 667 CA GLU A 42 -0.983 -14.350 -1.048 1.00 12.51 C ATOM 668 C GLU A 42 -1.903 -15.451 -0.529 1.00 52.11 C ATOM 669 O GLU A 42 -2.437 -15.359 0.576 1.00 12.23 O ATOM 670 CB GLU A 42 -1.812 -13.249 -1.713 1.00 11.42 C ATOM 671 CG GLU A 42 -2.990 -12.783 -0.874 1.00 35.31 C ATOM 672 CD GLU A 42 -2.592 -12.428 0.545 1.00 11.23 C ATOM 673 OE1 GLU A 42 -1.458 -11.943 0.740 1.00 20.11 O1- ATOM 674 OE2 GLU A 42 -3.415 -12.635 1.461 1.00 15.54 O ATOM 0 H GLU A 42 0.007 -14.421 -2.895 1.00 72.43 H new ATOM 0 HA GLU A 42 -0.440 -13.927 -0.203 1.00 12.51 H new ATOM 0 HB2 GLU A 42 -1.166 -12.396 -1.923 1.00 11.42 H new ATOM 0 HB3 GLU A 42 -2.181 -13.613 -2.672 1.00 11.42 H new ATOM 0 HG2 GLU A 42 -3.447 -11.914 -1.347 1.00 35.31 H new ATOM 0 HG3 GLU A 42 -3.747 -13.567 -0.850 1.00 35.31 H new ATOM 681 N ARG A 43 -2.084 -16.492 -1.336 1.00 2.33 N ATOM 682 CA ARG A 43 -2.940 -17.610 -0.960 1.00 32.02 C ATOM 683 C ARG A 43 -2.334 -18.393 0.201 1.00 11.45 C ATOM 684 O ARG A 43 -3.052 -18.992 1.002 1.00 73.22 O ATOM 685 CB ARG A 43 -3.157 -18.538 -2.156 1.00 73.42 C ATOM 686 CG ARG A 43 -4.494 -19.261 -2.132 1.00 14.22 C ATOM 687 CD ARG A 43 -4.317 -20.766 -2.254 1.00 24.10 C ATOM 688 NE ARG A 43 -5.580 -21.481 -2.096 1.00 31.14 N ATOM 689 CZ ARG A 43 -5.669 -22.802 -1.991 1.00 22.30 C ATOM 690 NH1 ARG A 43 -4.573 -23.548 -2.027 1.00 74.52 N1+ ATOM 691 NH2 ARG A 43 -6.855 -23.380 -1.849 1.00 50.22 N ATOM 0 H ARG A 43 -1.649 -16.584 -2.254 1.00 2.33 H new ATOM 0 HA ARG A 43 -3.901 -17.207 -0.641 1.00 32.02 H new ATOM 0 HB2 ARG A 43 -3.085 -17.956 -3.075 1.00 73.42 H new ATOM 0 HB3 ARG A 43 -2.355 -19.276 -2.183 1.00 73.42 H new ATOM 0 HG2 ARG A 43 -5.017 -19.029 -1.204 1.00 14.22 H new ATOM 0 HG3 ARG A 43 -5.119 -18.900 -2.949 1.00 14.22 H new ATOM 0 HD2 ARG A 43 -3.886 -21.002 -3.227 1.00 24.10 H new ATOM 0 HD3 ARG A 43 -3.609 -21.110 -1.500 1.00 24.10 H new ATOM 0 HE ARG A 43 -6.442 -20.936 -2.065 1.00 31.14 H new ATOM 0 HH11 ARG A 43 -3.660 -23.107 -2.135 1.00 74.52 H new ATOM 0 HH12 ARG A 43 -4.644 -24.562 -1.946 1.00 74.52 H new ATOM 0 HH21 ARG A 43 -7.700 -22.810 -1.820 1.00 50.22 H new ATOM 0 HH22 ARG A 43 -6.921 -24.395 -1.769 1.00 50.22 H new ATOM 705 N PHE A 44 -1.008 -18.383 0.287 1.00 40.43 N ATOM 706 CA PHE A 44 -0.305 -19.092 1.349 1.00 62.51 C ATOM 707 C PHE A 44 0.027 -18.152 2.504 1.00 65.31 C ATOM 708 O PHE A 44 1.003 -18.359 3.225 1.00 0.51 O ATOM 709 CB PHE A 44 0.978 -19.725 0.806 1.00 3.00 C ATOM 710 CG PHE A 44 0.731 -20.810 -0.202 1.00 64.43 C ATOM 711 CD1 PHE A 44 0.060 -21.968 0.157 1.00 70.04 C ATOM 712 CD2 PHE A 44 1.171 -20.673 -1.509 1.00 63.31 C ATOM 713 CE1 PHE A 44 -0.169 -22.969 -0.769 1.00 12.30 C ATOM 714 CE2 PHE A 44 0.945 -21.670 -2.439 1.00 33.30 C ATOM 715 CZ PHE A 44 0.275 -22.820 -2.068 1.00 53.13 C ATOM 0 H PHE A 44 -0.399 -17.891 -0.367 1.00 40.43 H new ATOM 0 HA PHE A 44 -0.961 -19.879 1.722 1.00 62.51 H new ATOM 0 HB2 PHE A 44 1.592 -18.949 0.349 1.00 3.00 H new ATOM 0 HB3 PHE A 44 1.551 -20.136 1.637 1.00 3.00 H new ATOM 0 HD1 PHE A 44 -0.288 -22.090 1.172 1.00 70.04 H new ATOM 0 HD2 PHE A 44 1.697 -19.777 -1.804 1.00 63.31 H new ATOM 0 HE1 PHE A 44 -0.694 -23.866 -0.477 1.00 12.30 H new ATOM 0 HE2 PHE A 44 1.292 -21.550 -3.455 1.00 33.30 H new ATOM 0 HZ PHE A 44 0.099 -23.601 -2.793 1.00 53.13 H new ATOM 725 N ALA A 45 -0.791 -17.119 2.672 1.00 11.11 N ATOM 726 CA ALA A 45 -0.586 -16.148 3.739 1.00 1.43 C ATOM 727 C ALA A 45 0.724 -15.391 3.549 1.00 64.13 C ATOM 728 O ALA A 45 1.276 -14.836 4.499 1.00 43.23 O ATOM 729 CB ALA A 45 -0.606 -16.840 5.094 1.00 4.10 C ATOM 0 H ALA A 45 -1.602 -16.933 2.083 1.00 11.11 H new ATOM 0 HA ALA A 45 -1.401 -15.426 3.700 1.00 1.43 H new ATOM 0 HB1 ALA A 45 -0.452 -16.102 5.882 1.00 4.10 H new ATOM 0 HB2 ALA A 45 -1.569 -17.329 5.239 1.00 4.10 H new ATOM 0 HB3 ALA A 45 0.189 -17.585 5.134 1.00 4.10 H new ATOM 735 N VAL A 46 1.218 -15.374 2.315 1.00 42.34 N ATOM 736 CA VAL A 46 2.464 -14.685 1.999 1.00 10.13 C ATOM 737 C VAL A 46 2.231 -13.560 0.997 1.00 65.11 C ATOM 738 O VAL A 46 1.859 -13.804 -0.150 1.00 32.22 O ATOM 739 CB VAL A 46 3.514 -15.657 1.429 1.00 0.12 C ATOM 740 CG1 VAL A 46 4.791 -14.913 1.070 1.00 3.03 C ATOM 741 CG2 VAL A 46 3.799 -16.774 2.421 1.00 30.42 C ATOM 0 H VAL A 46 0.774 -15.830 1.518 1.00 42.34 H new ATOM 0 HA VAL A 46 2.839 -14.264 2.932 1.00 10.13 H new ATOM 0 HB VAL A 46 3.114 -16.104 0.519 1.00 0.12 H new ATOM 0 HG11 VAL A 46 5.521 -15.616 0.669 1.00 3.03 H new ATOM 0 HG12 VAL A 46 4.571 -14.152 0.321 1.00 3.03 H new ATOM 0 HG13 VAL A 46 5.198 -14.437 1.962 1.00 3.03 H new ATOM 0 HG21 VAL A 46 4.543 -17.452 2.002 1.00 30.42 H new ATOM 0 HG22 VAL A 46 4.178 -16.348 3.350 1.00 30.42 H new ATOM 0 HG23 VAL A 46 2.880 -17.324 2.623 1.00 30.42 H new ATOM 751 N ASN A 47 2.455 -12.326 1.438 1.00 72.31 N ATOM 752 CA ASN A 47 2.270 -11.162 0.579 1.00 75.41 C ATOM 753 C ASN A 47 3.224 -11.207 -0.611 1.00 12.13 C ATOM 754 O ASN A 47 4.362 -11.665 -0.509 1.00 31.24 O ATOM 755 CB ASN A 47 2.489 -9.875 1.375 1.00 2.43 C ATOM 756 CG ASN A 47 1.615 -9.804 2.612 1.00 11.34 C ATOM 757 OD1 ASN A 47 1.850 -10.509 3.594 1.00 42.23 O ATOM 758 ND2 ASN A 47 0.599 -8.950 2.570 1.00 11.54 N ATOM 0 H ASN A 47 2.765 -12.107 2.385 1.00 72.31 H new ATOM 0 HA ASN A 47 1.247 -11.178 0.202 1.00 75.41 H new ATOM 0 HB2 ASN A 47 3.536 -9.807 1.669 1.00 2.43 H new ATOM 0 HB3 ASN A 47 2.281 -9.016 0.737 1.00 2.43 H new ATOM 0 HD21 ASN A 47 -0.024 -8.859 3.372 1.00 11.54 H new ATOM 0 HD22 ASN A 47 0.442 -8.385 1.735 1.00 11.54 H new ATOM 765 N PRO A 48 2.751 -10.719 -1.767 1.00 51.12 N ATOM 766 CA PRO A 48 3.546 -10.691 -2.998 1.00 51.54 C ATOM 767 C PRO A 48 4.689 -9.683 -2.928 1.00 34.34 C ATOM 768 O PRO A 48 5.595 -9.699 -3.759 1.00 24.22 O ATOM 769 CB PRO A 48 2.531 -10.274 -4.066 1.00 43.22 C ATOM 770 CG PRO A 48 1.485 -9.519 -3.321 1.00 4.11 C ATOM 771 CD PRO A 48 1.404 -10.157 -1.962 1.00 12.24 C ATOM 0 HA PRO A 48 4.025 -11.650 -3.196 1.00 51.54 H new ATOM 0 HB2 PRO A 48 2.996 -9.654 -4.833 1.00 43.22 H new ATOM 0 HB3 PRO A 48 2.108 -11.143 -4.571 1.00 43.22 H new ATOM 0 HG2 PRO A 48 1.747 -8.464 -3.242 1.00 4.11 H new ATOM 0 HG3 PRO A 48 0.525 -9.572 -3.835 1.00 4.11 H new ATOM 0 HD2 PRO A 48 1.157 -9.428 -1.190 1.00 12.24 H new ATOM 0 HD3 PRO A 48 0.637 -10.931 -1.927 1.00 12.24 H new ATOM 779 N GLY A 49 4.639 -8.808 -1.928 1.00 54.53 N ATOM 780 CA GLY A 49 5.676 -7.805 -1.768 1.00 31.44 C ATOM 781 C GLY A 49 7.025 -8.415 -1.440 1.00 13.51 C ATOM 782 O GLY A 49 8.058 -7.754 -1.558 1.00 72.21 O ATOM 0 H GLY A 49 3.899 -8.776 -1.226 1.00 54.53 H new ATOM 0 HA2 GLY A 49 5.758 -7.221 -2.685 1.00 31.44 H new ATOM 0 HA3 GLY A 49 5.390 -7.114 -0.975 1.00 31.44 H new ATOM 786 N LEU A 50 7.017 -9.677 -1.025 1.00 50.44 N ATOM 787 CA LEU A 50 8.250 -10.375 -0.678 1.00 35.15 C ATOM 788 C LEU A 50 9.038 -10.745 -1.930 1.00 33.31 C ATOM 789 O LEU A 50 10.253 -10.936 -1.878 1.00 25.35 O ATOM 790 CB LEU A 50 7.934 -11.635 0.131 1.00 3.43 C ATOM 791 CG LEU A 50 7.078 -11.432 1.382 1.00 73.43 C ATOM 792 CD1 LEU A 50 6.898 -12.748 2.124 1.00 51.50 C ATOM 793 CD2 LEU A 50 7.702 -10.385 2.292 1.00 30.02 C ATOM 0 H LEU A 50 6.171 -10.237 -0.921 1.00 50.44 H new ATOM 0 HA LEU A 50 8.860 -9.705 -0.073 1.00 35.15 H new ATOM 0 HB2 LEU A 50 7.425 -12.344 -0.522 1.00 3.43 H new ATOM 0 HB3 LEU A 50 8.875 -12.096 0.430 1.00 3.43 H new ATOM 0 HG LEU A 50 6.096 -11.075 1.073 1.00 73.43 H new ATOM 0 HD11 LEU A 50 6.286 -12.585 3.011 1.00 51.50 H new ATOM 0 HD12 LEU A 50 6.406 -13.469 1.472 1.00 51.50 H new ATOM 0 HD13 LEU A 50 7.873 -13.134 2.421 1.00 51.50 H new ATOM 0 HD21 LEU A 50 7.079 -10.254 3.177 1.00 30.02 H new ATOM 0 HD22 LEU A 50 8.697 -10.712 2.594 1.00 30.02 H new ATOM 0 HD23 LEU A 50 7.778 -9.438 1.758 1.00 30.02 H new ATOM 805 N LEU A 51 8.339 -10.843 -3.055 1.00 55.01 N ATOM 806 CA LEU A 51 8.973 -11.188 -4.323 1.00 1.13 C ATOM 807 C LEU A 51 9.977 -10.117 -4.738 1.00 74.14 C ATOM 808 O LEU A 51 10.913 -10.389 -5.489 1.00 71.10 O ATOM 809 CB LEU A 51 7.916 -11.363 -5.414 1.00 35.11 C ATOM 810 CG LEU A 51 6.943 -12.528 -5.225 1.00 62.05 C ATOM 811 CD1 LEU A 51 5.779 -12.414 -6.197 1.00 61.35 C ATOM 812 CD2 LEU A 51 7.662 -13.857 -5.405 1.00 22.23 C ATOM 0 H LEU A 51 7.333 -10.688 -3.115 1.00 55.01 H new ATOM 0 HA LEU A 51 9.507 -12.129 -4.190 1.00 1.13 H new ATOM 0 HB2 LEU A 51 7.339 -10.441 -5.484 1.00 35.11 H new ATOM 0 HB3 LEU A 51 8.426 -11.493 -6.369 1.00 35.11 H new ATOM 0 HG LEU A 51 6.548 -12.486 -4.210 1.00 62.05 H new ATOM 0 HD11 LEU A 51 5.097 -13.251 -6.048 1.00 61.35 H new ATOM 0 HD12 LEU A 51 5.248 -11.478 -6.021 1.00 61.35 H new ATOM 0 HD13 LEU A 51 6.156 -12.431 -7.220 1.00 61.35 H new ATOM 0 HD21 LEU A 51 6.955 -14.675 -5.267 1.00 22.23 H new ATOM 0 HD22 LEU A 51 8.085 -13.909 -6.408 1.00 22.23 H new ATOM 0 HD23 LEU A 51 8.462 -13.941 -4.669 1.00 22.23 H new ATOM 824 N GLU A 52 9.775 -8.900 -4.243 1.00 51.12 N ATOM 825 CA GLU A 52 10.664 -7.789 -4.563 1.00 14.01 C ATOM 826 C GLU A 52 11.645 -7.532 -3.423 1.00 12.22 C ATOM 827 O GLU A 52 12.143 -6.418 -3.256 1.00 24.20 O ATOM 828 CB GLU A 52 9.852 -6.523 -4.847 1.00 63.33 C ATOM 829 CG GLU A 52 9.071 -6.018 -3.646 1.00 30.31 C ATOM 830 CD GLU A 52 8.687 -4.557 -3.772 1.00 54.13 C ATOM 831 OE1 GLU A 52 7.616 -4.274 -4.349 1.00 53.41 O ATOM 832 OE2 GLU A 52 9.456 -3.697 -3.295 1.00 61.11 O1- ATOM 0 H GLU A 52 9.005 -8.658 -3.620 1.00 51.12 H new ATOM 0 HA GLU A 52 11.231 -8.056 -5.455 1.00 14.01 H new ATOM 0 HB2 GLU A 52 10.527 -5.738 -5.187 1.00 63.33 H new ATOM 0 HB3 GLU A 52 9.158 -6.722 -5.663 1.00 63.33 H new ATOM 0 HG2 GLU A 52 8.169 -6.618 -3.526 1.00 30.31 H new ATOM 0 HG3 GLU A 52 9.668 -6.156 -2.745 1.00 30.31 H new ATOM 839 N THR A 53 11.918 -8.570 -2.639 1.00 33.40 N ATOM 840 CA THR A 53 12.837 -8.458 -1.514 1.00 30.03 C ATOM 841 C THR A 53 13.801 -9.638 -1.471 1.00 34.51 C ATOM 842 O THR A 53 13.380 -10.794 -1.418 1.00 34.03 O ATOM 843 CB THR A 53 12.079 -8.380 -0.175 1.00 3.31 C ATOM 844 OG1 THR A 53 11.546 -9.665 0.162 1.00 75.01 O ATOM 845 CG2 THR A 53 10.952 -7.361 -0.250 1.00 3.32 C ATOM 0 H THR A 53 11.515 -9.499 -2.763 1.00 33.40 H new ATOM 0 HA THR A 53 13.401 -7.537 -1.658 1.00 30.03 H new ATOM 0 HB THR A 53 12.781 -8.065 0.597 1.00 3.31 H new ATOM 0 HG1 THR A 53 11.100 -10.050 -0.621 1.00 75.01 H new ATOM 0 HG21 THR A 53 10.431 -7.323 0.707 1.00 3.32 H new ATOM 0 HG22 THR A 53 11.365 -6.378 -0.477 1.00 3.32 H new ATOM 0 HG23 THR A 53 10.251 -7.650 -1.033 1.00 3.32 H new ATOM 853 N SER A 54 15.096 -9.340 -1.494 1.00 33.42 N ATOM 854 CA SER A 54 16.120 -10.378 -1.461 1.00 34.14 C ATOM 855 C SER A 54 15.969 -11.250 -0.218 1.00 22.31 C ATOM 856 O SER A 54 16.419 -12.395 -0.192 1.00 65.15 O ATOM 857 CB SER A 54 17.514 -9.749 -1.491 1.00 21.54 C ATOM 858 OG SER A 54 17.439 -8.337 -1.397 1.00 60.50 O ATOM 0 H SER A 54 15.461 -8.388 -1.535 1.00 33.42 H new ATOM 0 HA SER A 54 15.994 -11.007 -2.342 1.00 34.14 H new ATOM 0 HB2 SER A 54 18.111 -10.140 -0.667 1.00 21.54 H new ATOM 0 HB3 SER A 54 18.023 -10.029 -2.414 1.00 21.54 H new ATOM 0 HG SER A 54 18.343 -7.959 -1.417 1.00 60.50 H new ATOM 864 N GLU A 55 15.333 -10.699 0.811 1.00 75.02 N ATOM 865 CA GLU A 55 15.123 -11.426 2.057 1.00 23.23 C ATOM 866 C GLU A 55 13.880 -12.307 1.971 1.00 1.13 C ATOM 867 O GLU A 55 13.915 -13.485 2.325 1.00 52.22 O ATOM 868 CB GLU A 55 14.990 -10.449 3.227 1.00 33.13 C ATOM 869 CG GLU A 55 16.322 -9.928 3.740 1.00 34.25 C ATOM 870 CD GLU A 55 16.371 -9.845 5.254 1.00 43.53 C ATOM 871 OE1 GLU A 55 16.279 -10.904 5.909 1.00 3.31 O ATOM 872 OE2 GLU A 55 16.502 -8.721 5.782 1.00 12.14 O1- ATOM 0 H GLU A 55 14.954 -9.752 0.806 1.00 75.02 H new ATOM 0 HA GLU A 55 15.989 -12.066 2.224 1.00 23.23 H new ATOM 0 HB2 GLU A 55 14.375 -9.605 2.916 1.00 33.13 H new ATOM 0 HB3 GLU A 55 14.464 -10.943 4.044 1.00 33.13 H new ATOM 0 HG2 GLU A 55 17.122 -10.580 3.389 1.00 34.25 H new ATOM 0 HG3 GLU A 55 16.508 -8.940 3.319 1.00 34.25 H new ATOM 879 N GLY A 56 12.781 -11.726 1.499 1.00 45.40 N ATOM 880 CA GLY A 56 11.542 -12.471 1.375 1.00 4.25 C ATOM 881 C GLY A 56 11.670 -13.658 0.441 1.00 4.24 C ATOM 882 O GLY A 56 11.283 -14.774 0.789 1.00 62.21 O ATOM 0 H GLY A 56 12.727 -10.752 1.200 1.00 45.40 H new ATOM 0 HA2 GLY A 56 11.231 -12.820 2.360 1.00 4.25 H new ATOM 0 HA3 GLY A 56 10.758 -11.808 1.009 1.00 4.25 H new ATOM 886 N CYS A 57 12.213 -13.417 -0.747 1.00 31.41 N ATOM 887 CA CYS A 57 12.389 -14.476 -1.735 1.00 55.44 C ATOM 888 C CYS A 57 13.119 -15.669 -1.130 1.00 23.51 C ATOM 889 O CYS A 57 12.881 -16.815 -1.512 1.00 71.14 O ATOM 890 CB CYS A 57 13.162 -13.949 -2.945 1.00 51.31 C ATOM 891 SG CYS A 57 12.172 -13.813 -4.452 1.00 50.11 S ATOM 0 H CYS A 57 12.539 -12.499 -1.050 1.00 31.41 H new ATOM 0 HA CYS A 57 11.401 -14.805 -2.059 1.00 55.44 H new ATOM 0 HB2 CYS A 57 13.571 -12.968 -2.702 1.00 51.31 H new ATOM 0 HB3 CYS A 57 14.008 -14.609 -3.137 1.00 51.31 H new ATOM 0 HG CYS A 57 12.913 -13.357 -5.418 1.00 50.11 H new ATOM 897 N ARG A 58 14.011 -15.393 -0.184 1.00 63.13 N ATOM 898 CA ARG A 58 14.779 -16.444 0.472 1.00 24.11 C ATOM 899 C ARG A 58 13.891 -17.268 1.400 1.00 2.20 C ATOM 900 O ARG A 58 13.930 -18.498 1.381 1.00 41.33 O ATOM 901 CB ARG A 58 15.940 -15.838 1.264 1.00 34.42 C ATOM 902 CG ARG A 58 17.030 -16.840 1.609 1.00 11.31 C ATOM 903 CD ARG A 58 17.815 -16.407 2.837 1.00 4.02 C ATOM 904 NE ARG A 58 18.762 -15.337 2.533 1.00 72.23 N ATOM 905 CZ ARG A 58 19.475 -14.702 3.456 1.00 63.30 C ATOM 906 NH1 ARG A 58 19.351 -15.028 4.735 1.00 34.31 N1+ ATOM 907 NH2 ARG A 58 20.316 -13.739 3.100 1.00 21.33 N ATOM 0 H ARG A 58 14.219 -14.450 0.145 1.00 63.13 H new ATOM 0 HA ARG A 58 15.179 -17.103 -0.299 1.00 24.11 H new ATOM 0 HB2 ARG A 58 16.377 -15.023 0.686 1.00 34.42 H new ATOM 0 HB3 ARG A 58 15.553 -15.404 2.186 1.00 34.42 H new ATOM 0 HG2 ARG A 58 16.583 -17.818 1.787 1.00 11.31 H new ATOM 0 HG3 ARG A 58 17.708 -16.948 0.762 1.00 11.31 H new ATOM 0 HD2 ARG A 58 17.123 -16.070 3.609 1.00 4.02 H new ATOM 0 HD3 ARG A 58 18.354 -17.263 3.243 1.00 4.02 H new ATOM 0 HE ARG A 58 18.882 -15.062 1.558 1.00 72.23 H new ATOM 0 HH11 ARG A 58 18.707 -15.768 5.012 1.00 34.31 H new ATOM 0 HH12 ARG A 58 19.900 -14.538 5.442 1.00 34.31 H new ATOM 0 HH21 ARG A 58 20.415 -13.486 2.117 1.00 21.33 H new ATOM 0 HH22 ARG A 58 20.863 -13.252 3.810 1.00 21.33 H new ATOM 921 N GLN A 59 13.093 -16.581 2.211 1.00 41.42 N ATOM 922 CA GLN A 59 12.197 -17.249 3.146 1.00 33.25 C ATOM 923 C GLN A 59 11.191 -18.124 2.406 1.00 72.21 C ATOM 924 O GLN A 59 10.947 -19.268 2.791 1.00 64.44 O ATOM 925 CB GLN A 59 11.460 -16.219 4.004 1.00 1.04 C ATOM 926 CG GLN A 59 11.902 -16.211 5.459 1.00 74.30 C ATOM 927 CD GLN A 59 11.151 -15.191 6.291 1.00 12.34 C ATOM 928 OE1 GLN A 59 10.620 -14.212 5.765 1.00 64.23 O ATOM 929 NE2 GLN A 59 11.102 -15.414 7.599 1.00 13.14 N ATOM 0 H GLN A 59 13.049 -15.562 2.239 1.00 41.42 H new ATOM 0 HA GLN A 59 12.799 -17.887 3.793 1.00 33.25 H new ATOM 0 HB2 GLN A 59 11.616 -15.227 3.580 1.00 1.04 H new ATOM 0 HB3 GLN A 59 10.390 -16.420 3.959 1.00 1.04 H new ATOM 0 HG2 GLN A 59 11.753 -17.203 5.886 1.00 74.30 H new ATOM 0 HG3 GLN A 59 12.970 -16.000 5.509 1.00 74.30 H new ATOM 0 HE21 GLN A 59 11.556 -16.238 7.993 1.00 13.14 H new ATOM 0 HE22 GLN A 59 10.610 -14.761 8.210 1.00 13.14 H new ATOM 938 N ILE A 60 10.609 -17.579 1.343 1.00 44.31 N ATOM 939 CA ILE A 60 9.631 -18.310 0.549 1.00 75.44 C ATOM 940 C ILE A 60 10.184 -19.658 0.099 1.00 20.55 C ATOM 941 O ILE A 60 9.462 -20.656 0.058 1.00 3.13 O ATOM 942 CB ILE A 60 9.198 -17.507 -0.692 1.00 1.31 C ATOM 943 CG1 ILE A 60 8.607 -16.159 -0.273 1.00 34.22 C ATOM 944 CG2 ILE A 60 8.193 -18.300 -1.513 1.00 73.11 C ATOM 945 CD1 ILE A 60 8.557 -15.146 -1.395 1.00 1.12 C ATOM 0 H ILE A 60 10.798 -16.633 1.012 1.00 44.31 H new ATOM 0 HA ILE A 60 8.763 -18.470 1.189 1.00 75.44 H new ATOM 0 HB ILE A 60 10.076 -17.321 -1.311 1.00 1.31 H new ATOM 0 HG12 ILE A 60 7.598 -16.317 0.108 1.00 34.22 H new ATOM 0 HG13 ILE A 60 9.198 -15.752 0.547 1.00 34.22 H new ATOM 0 HG21 ILE A 60 7.897 -17.719 -2.386 1.00 73.11 H new ATOM 0 HG22 ILE A 60 8.646 -19.237 -1.837 1.00 73.11 H new ATOM 0 HG23 ILE A 60 7.314 -18.514 -0.905 1.00 73.11 H new ATOM 0 HD11 ILE A 60 8.127 -14.215 -1.026 1.00 1.12 H new ATOM 0 HD12 ILE A 60 9.566 -14.959 -1.762 1.00 1.12 H new ATOM 0 HD13 ILE A 60 7.942 -15.533 -2.207 1.00 1.12 H new ATOM 957 N LEU A 61 11.469 -19.682 -0.235 1.00 25.22 N ATOM 958 CA LEU A 61 12.122 -20.909 -0.679 1.00 51.14 C ATOM 959 C LEU A 61 12.350 -21.859 0.491 1.00 23.45 C ATOM 960 O LEU A 61 12.422 -23.075 0.313 1.00 14.51 O ATOM 961 CB LEU A 61 13.455 -20.585 -1.355 1.00 43.53 C ATOM 962 CG LEU A 61 13.377 -19.720 -2.614 1.00 11.31 C ATOM 963 CD1 LEU A 61 14.696 -19.000 -2.850 1.00 73.10 C ATOM 964 CD2 LEU A 61 13.006 -20.568 -3.822 1.00 4.03 C ATOM 0 H LEU A 61 12.080 -18.866 -0.207 1.00 25.22 H new ATOM 0 HA LEU A 61 11.467 -21.400 -1.399 1.00 51.14 H new ATOM 0 HB2 LEU A 61 14.094 -20.080 -0.630 1.00 43.53 H new ATOM 0 HB3 LEU A 61 13.946 -21.523 -1.613 1.00 43.53 H new ATOM 0 HG LEU A 61 12.599 -18.971 -2.469 1.00 11.31 H new ATOM 0 HD11 LEU A 61 14.621 -18.390 -3.750 1.00 73.10 H new ATOM 0 HD12 LEU A 61 14.920 -18.361 -1.996 1.00 73.10 H new ATOM 0 HD13 LEU A 61 15.493 -19.733 -2.974 1.00 73.10 H new ATOM 0 HD21 LEU A 61 12.955 -19.936 -4.709 1.00 4.03 H new ATOM 0 HD22 LEU A 61 13.761 -21.340 -3.970 1.00 4.03 H new ATOM 0 HD23 LEU A 61 12.036 -21.036 -3.654 1.00 4.03 H new ATOM 976 N GLY A 62 12.462 -21.297 1.691 1.00 1.40 N ATOM 977 CA GLY A 62 12.679 -22.109 2.874 1.00 11.31 C ATOM 978 C GLY A 62 11.471 -22.954 3.226 1.00 21.32 C ATOM 979 O GLY A 62 11.612 -24.088 3.683 1.00 21.21 O ATOM 0 H GLY A 62 12.406 -20.293 1.865 1.00 1.40 H new ATOM 0 HA2 GLY A 62 13.539 -22.759 2.712 1.00 11.31 H new ATOM 0 HA3 GLY A 62 12.923 -21.461 3.716 1.00 11.31 H new ATOM 983 N GLN A 63 10.281 -22.401 3.015 1.00 44.12 N ATOM 984 CA GLN A 63 9.044 -23.112 3.316 1.00 44.14 C ATOM 985 C GLN A 63 8.688 -24.083 2.195 1.00 50.44 C ATOM 986 O GLN A 63 8.053 -25.112 2.429 1.00 52.33 O ATOM 987 CB GLN A 63 7.900 -22.120 3.530 1.00 2.41 C ATOM 988 CG GLN A 63 7.560 -21.891 4.994 1.00 54.22 C ATOM 989 CD GLN A 63 6.992 -20.509 5.252 1.00 74.12 C ATOM 990 OE1 GLN A 63 5.795 -20.275 5.079 1.00 21.05 O ATOM 991 NE2 GLN A 63 7.849 -19.584 5.668 1.00 62.44 N ATOM 0 H GLN A 63 10.147 -21.463 2.637 1.00 44.12 H new ATOM 0 HA GLN A 63 9.196 -23.683 4.232 1.00 44.14 H new ATOM 0 HB2 GLN A 63 8.167 -21.167 3.074 1.00 2.41 H new ATOM 0 HB3 GLN A 63 7.013 -22.484 3.012 1.00 2.41 H new ATOM 0 HG2 GLN A 63 6.839 -22.642 5.317 1.00 54.22 H new ATOM 0 HG3 GLN A 63 8.457 -22.029 5.597 1.00 54.22 H new ATOM 0 HE21 GLN A 63 8.832 -19.822 5.798 1.00 62.44 H new ATOM 0 HE22 GLN A 63 7.524 -18.636 5.858 1.00 62.44 H new ATOM 1000 N LEU A 64 9.100 -23.749 0.977 1.00 41.23 N ATOM 1001 CA LEU A 64 8.824 -24.591 -0.182 1.00 61.20 C ATOM 1002 C LEU A 64 9.859 -25.705 -0.305 1.00 3.42 C ATOM 1003 O LEU A 64 9.582 -26.762 -0.870 1.00 64.11 O ATOM 1004 CB LEU A 64 8.811 -23.748 -1.458 1.00 60.35 C ATOM 1005 CG LEU A 64 7.592 -22.846 -1.654 1.00 44.34 C ATOM 1006 CD1 LEU A 64 7.846 -21.841 -2.768 1.00 33.13 C ATOM 1007 CD2 LEU A 64 6.355 -23.678 -1.956 1.00 60.53 C ATOM 0 H LEU A 64 9.626 -22.901 0.766 1.00 41.23 H new ATOM 0 HA LEU A 64 7.843 -25.046 -0.044 1.00 61.20 H new ATOM 0 HB2 LEU A 64 9.705 -23.124 -1.467 1.00 60.35 H new ATOM 0 HB3 LEU A 64 8.883 -24.419 -2.314 1.00 60.35 H new ATOM 0 HG LEU A 64 7.418 -22.297 -0.729 1.00 44.34 H new ATOM 0 HD11 LEU A 64 6.968 -21.207 -2.894 1.00 33.13 H new ATOM 0 HD12 LEU A 64 8.706 -21.223 -2.511 1.00 33.13 H new ATOM 0 HD13 LEU A 64 8.046 -22.372 -3.699 1.00 33.13 H new ATOM 0 HD21 LEU A 64 5.498 -23.019 -2.092 1.00 60.53 H new ATOM 0 HD22 LEU A 64 6.518 -24.255 -2.866 1.00 60.53 H new ATOM 0 HD23 LEU A 64 6.162 -24.357 -1.126 1.00 60.53 H new ATOM 1019 N GLN A 65 11.051 -25.459 0.230 1.00 30.32 N ATOM 1020 CA GLN A 65 12.127 -26.442 0.181 1.00 33.45 C ATOM 1021 C GLN A 65 11.653 -27.794 0.707 1.00 44.33 C ATOM 1022 O GLN A 65 11.646 -28.797 -0.007 1.00 54.44 O ATOM 1023 CB GLN A 65 13.327 -25.957 0.996 1.00 31.12 C ATOM 1024 CG GLN A 65 14.464 -25.419 0.143 1.00 50.21 C ATOM 1025 CD GLN A 65 15.740 -26.222 0.297 1.00 61.53 C ATOM 1026 OE1 GLN A 65 16.544 -25.967 1.194 1.00 71.20 O ATOM 1027 NE2 GLN A 65 15.933 -27.201 -0.580 1.00 43.22 N ATOM 0 H GLN A 65 11.296 -24.588 0.702 1.00 30.32 H new ATOM 0 HA GLN A 65 12.428 -26.562 -0.860 1.00 33.45 H new ATOM 0 HB2 GLN A 65 12.998 -25.177 1.682 1.00 31.12 H new ATOM 0 HB3 GLN A 65 13.699 -26.781 1.605 1.00 31.12 H new ATOM 0 HG2 GLN A 65 14.161 -25.423 -0.904 1.00 50.21 H new ATOM 0 HG3 GLN A 65 14.657 -24.381 0.415 1.00 50.21 H new ATOM 0 HE21 GLN A 65 15.240 -27.378 -1.308 1.00 43.22 H new ATOM 0 HE22 GLN A 65 16.774 -27.776 -0.526 1.00 43.22 H new ATOM 1036 N PRO A 66 11.249 -27.824 1.985 1.00 3.44 N ATOM 1037 CA PRO A 66 10.767 -29.046 2.635 1.00 71.03 C ATOM 1038 C PRO A 66 9.413 -29.494 2.094 1.00 24.21 C ATOM 1039 O PRO A 66 9.004 -30.638 2.291 1.00 75.10 O ATOM 1040 CB PRO A 66 10.648 -28.643 4.107 1.00 51.45 C ATOM 1041 CG PRO A 66 10.452 -27.166 4.080 1.00 72.01 C ATOM 1042 CD PRO A 66 11.232 -26.666 2.895 1.00 33.04 C ATOM 0 HA PRO A 66 11.435 -29.890 2.463 1.00 71.03 H new ATOM 0 HB2 PRO A 66 9.809 -29.145 4.588 1.00 51.45 H new ATOM 0 HB3 PRO A 66 11.544 -28.913 4.665 1.00 51.45 H new ATOM 0 HG2 PRO A 66 9.396 -26.914 3.986 1.00 72.01 H new ATOM 0 HG3 PRO A 66 10.808 -26.708 5.003 1.00 72.01 H new ATOM 0 HD2 PRO A 66 10.754 -25.801 2.435 1.00 33.04 H new ATOM 0 HD3 PRO A 66 12.240 -26.361 3.177 1.00 33.04 H new ATOM 1050 N SER A 67 8.724 -28.586 1.412 1.00 54.24 N ATOM 1051 CA SER A 67 7.414 -28.887 0.845 1.00 21.12 C ATOM 1052 C SER A 67 7.554 -29.589 -0.502 1.00 74.22 C ATOM 1053 O SER A 67 6.672 -30.343 -0.917 1.00 51.21 O ATOM 1054 CB SER A 67 6.598 -27.603 0.682 1.00 31.51 C ATOM 1055 OG SER A 67 6.337 -27.002 1.938 1.00 34.25 O ATOM 0 H SER A 67 9.050 -27.635 1.238 1.00 54.24 H new ATOM 0 HA SER A 67 6.893 -29.555 1.531 1.00 21.12 H new ATOM 0 HB2 SER A 67 7.139 -26.903 0.046 1.00 31.51 H new ATOM 0 HB3 SER A 67 5.657 -27.828 0.180 1.00 31.51 H new ATOM 0 HG SER A 67 7.057 -26.374 2.156 1.00 34.25 H new ATOM 1061 N LEU A 68 8.667 -29.337 -1.181 1.00 50.52 N ATOM 1062 CA LEU A 68 8.924 -29.944 -2.483 1.00 11.44 C ATOM 1063 C LEU A 68 8.755 -31.458 -2.420 1.00 35.21 C ATOM 1064 O LEU A 68 8.373 -32.090 -3.404 1.00 61.35 O ATOM 1065 CB LEU A 68 10.335 -29.596 -2.960 1.00 22.23 C ATOM 1066 CG LEU A 68 10.509 -28.214 -3.590 1.00 43.00 C ATOM 1067 CD1 LEU A 68 11.970 -27.791 -3.554 1.00 74.00 C ATOM 1068 CD2 LEU A 68 9.986 -28.210 -5.019 1.00 11.41 C ATOM 0 H LEU A 68 9.407 -28.716 -0.852 1.00 50.52 H new ATOM 0 HA LEU A 68 8.199 -29.545 -3.192 1.00 11.44 H new ATOM 0 HB2 LEU A 68 11.014 -29.674 -2.111 1.00 22.23 H new ATOM 0 HB3 LEU A 68 10.647 -30.346 -3.687 1.00 22.23 H new ATOM 0 HG LEU A 68 9.930 -27.496 -3.010 1.00 43.00 H new ATOM 0 HD11 LEU A 68 12.075 -26.805 -4.007 1.00 74.00 H new ATOM 0 HD12 LEU A 68 12.313 -27.754 -2.520 1.00 74.00 H new ATOM 0 HD13 LEU A 68 12.571 -28.511 -4.110 1.00 74.00 H new ATOM 0 HD21 LEU A 68 10.118 -27.218 -5.452 1.00 11.41 H new ATOM 0 HD22 LEU A 68 10.538 -28.940 -5.610 1.00 11.41 H new ATOM 0 HD23 LEU A 68 8.927 -28.468 -5.020 1.00 11.41 H new ATOM 1080 N GLN A 69 9.039 -32.033 -1.255 1.00 53.45 N ATOM 1081 CA GLN A 69 8.916 -33.473 -1.065 1.00 10.14 C ATOM 1082 C GLN A 69 7.485 -33.936 -1.319 1.00 2.23 C ATOM 1083 O GLN A 69 7.257 -34.959 -1.965 1.00 43.13 O ATOM 1084 CB GLN A 69 9.346 -33.859 0.352 1.00 72.54 C ATOM 1085 CG GLN A 69 9.469 -35.360 0.562 1.00 44.03 C ATOM 1086 CD GLN A 69 10.887 -35.861 0.369 1.00 21.35 C ATOM 1087 OE1 GLN A 69 11.751 -35.139 -0.129 1.00 70.31 O ATOM 1088 NE2 GLN A 69 11.134 -37.105 0.765 1.00 4.51 N ATOM 0 H GLN A 69 9.355 -31.524 -0.430 1.00 53.45 H new ATOM 0 HA GLN A 69 9.570 -33.967 -1.784 1.00 10.14 H new ATOM 0 HB2 GLN A 69 10.305 -33.390 0.572 1.00 72.54 H new ATOM 0 HB3 GLN A 69 8.624 -33.459 1.064 1.00 72.54 H new ATOM 0 HG2 GLN A 69 9.132 -35.611 1.568 1.00 44.03 H new ATOM 0 HG3 GLN A 69 8.807 -35.876 -0.134 1.00 44.03 H new ATOM 0 HE21 GLN A 69 10.388 -37.668 1.173 1.00 4.51 H new ATOM 0 HE22 GLN A 69 12.070 -37.497 0.661 1.00 4.51 H new ATOM 1097 N THR A 70 6.523 -33.176 -0.805 1.00 75.13 N ATOM 1098 CA THR A 70 5.114 -33.509 -0.975 1.00 52.10 C ATOM 1099 C THR A 70 4.349 -32.355 -1.614 1.00 24.11 C ATOM 1100 O THR A 70 3.244 -32.020 -1.191 1.00 32.32 O ATOM 1101 CB THR A 70 4.454 -33.864 0.371 1.00 3.20 C ATOM 1102 OG1 THR A 70 5.400 -34.521 1.222 1.00 42.21 O ATOM 1103 CG2 THR A 70 3.244 -34.762 0.161 1.00 44.43 C ATOM 0 H THR A 70 6.694 -32.326 -0.268 1.00 75.13 H new ATOM 0 HA THR A 70 5.072 -34.377 -1.632 1.00 52.10 H new ATOM 0 HB THR A 70 4.122 -32.939 0.843 1.00 3.20 H new ATOM 0 HG1 THR A 70 4.973 -34.742 2.076 1.00 42.21 H new ATOM 0 HG21 THR A 70 2.795 -34.999 1.126 1.00 44.43 H new ATOM 0 HG22 THR A 70 2.513 -34.248 -0.463 1.00 44.43 H new ATOM 0 HG23 THR A 70 3.556 -35.684 -0.330 1.00 44.43 H new ATOM 1111 N GLY A 71 4.946 -31.750 -2.637 1.00 20.12 N ATOM 1112 CA GLY A 71 4.306 -30.640 -3.318 1.00 72.10 C ATOM 1113 C GLY A 71 3.769 -31.028 -4.682 1.00 24.44 C ATOM 1114 O GLY A 71 4.282 -31.948 -5.319 1.00 21.31 O ATOM 0 H GLY A 71 5.861 -32.009 -3.006 1.00 20.12 H new ATOM 0 HA2 GLY A 71 3.489 -30.263 -2.703 1.00 72.10 H new ATOM 0 HA3 GLY A 71 5.022 -29.826 -3.431 1.00 72.10 H new ATOM 1118 N SER A 72 2.733 -30.327 -5.130 1.00 2.11 N ATOM 1119 CA SER A 72 2.123 -30.607 -6.424 1.00 42.14 C ATOM 1120 C SER A 72 2.698 -29.695 -7.504 1.00 62.54 C ATOM 1121 O SER A 72 3.665 -28.971 -7.270 1.00 32.34 O ATOM 1122 CB SER A 72 0.606 -30.429 -6.346 1.00 33.21 C ATOM 1123 OG SER A 72 0.232 -29.096 -6.647 1.00 41.22 O ATOM 0 H SER A 72 2.298 -29.561 -4.616 1.00 2.11 H new ATOM 0 HA SER A 72 2.347 -31.641 -6.687 1.00 42.14 H new ATOM 0 HB2 SER A 72 0.120 -31.112 -7.043 1.00 33.21 H new ATOM 0 HB3 SER A 72 0.257 -30.691 -5.347 1.00 33.21 H new ATOM 0 HG SER A 72 -0.743 -29.009 -6.592 1.00 41.22 H new ATOM 1129 N GLU A 73 2.095 -29.738 -8.689 1.00 24.24 N ATOM 1130 CA GLU A 73 2.548 -28.917 -9.805 1.00 70.14 C ATOM 1131 C GLU A 73 2.635 -27.448 -9.400 1.00 64.45 C ATOM 1132 O GLU A 73 3.543 -26.732 -9.821 1.00 11.42 O ATOM 1133 CB GLU A 73 1.602 -29.073 -10.998 1.00 63.21 C ATOM 1134 CG GLU A 73 2.179 -28.554 -12.304 1.00 41.42 C ATOM 1135 CD GLU A 73 1.117 -28.328 -13.362 1.00 54.32 C ATOM 1136 OE1 GLU A 73 -0.071 -28.587 -13.076 1.00 62.44 O1- ATOM 1137 OE2 GLU A 73 1.473 -27.891 -14.477 1.00 3.45 O ATOM 0 H GLU A 73 1.293 -30.332 -8.900 1.00 24.24 H new ATOM 0 HA GLU A 73 3.543 -29.256 -10.092 1.00 70.14 H new ATOM 0 HB2 GLU A 73 1.350 -30.127 -11.115 1.00 63.21 H new ATOM 0 HB3 GLU A 73 0.673 -28.544 -10.786 1.00 63.21 H new ATOM 0 HG2 GLU A 73 2.706 -27.618 -12.118 1.00 41.42 H new ATOM 0 HG3 GLU A 73 2.915 -29.265 -12.680 1.00 41.42 H new ATOM 1144 N GLU A 74 1.685 -27.009 -8.582 1.00 14.40 N ATOM 1145 CA GLU A 74 1.654 -25.625 -8.122 1.00 34.44 C ATOM 1146 C GLU A 74 2.912 -25.288 -7.328 1.00 3.15 C ATOM 1147 O GLU A 74 3.558 -24.267 -7.570 1.00 20.33 O ATOM 1148 CB GLU A 74 0.413 -25.379 -7.261 1.00 11.31 C ATOM 1149 CG GLU A 74 -0.424 -24.198 -7.724 1.00 0.14 C ATOM 1150 CD GLU A 74 -1.896 -24.364 -7.400 1.00 10.53 C ATOM 1151 OE1 GLU A 74 -2.210 -24.977 -6.359 1.00 24.45 O1- ATOM 1152 OE2 GLU A 74 -2.735 -23.878 -8.188 1.00 64.50 O ATOM 0 H GLU A 74 0.927 -27.590 -8.224 1.00 14.40 H new ATOM 0 HA GLU A 74 1.614 -24.978 -8.998 1.00 34.44 H new ATOM 0 HB2 GLU A 74 -0.206 -26.276 -7.266 1.00 11.31 H new ATOM 0 HB3 GLU A 74 0.724 -25.211 -6.230 1.00 11.31 H new ATOM 0 HG2 GLU A 74 -0.053 -23.288 -7.254 1.00 0.14 H new ATOM 0 HG3 GLU A 74 -0.305 -24.072 -8.800 1.00 0.14 H new ATOM 1159 N LEU A 75 3.255 -26.152 -6.378 1.00 52.42 N ATOM 1160 CA LEU A 75 4.436 -25.946 -5.547 1.00 31.21 C ATOM 1161 C LEU A 75 5.701 -25.912 -6.398 1.00 24.33 C ATOM 1162 O LEU A 75 6.649 -25.189 -6.090 1.00 51.11 O ATOM 1163 CB LEU A 75 4.543 -27.053 -4.497 1.00 23.14 C ATOM 1164 CG LEU A 75 5.076 -26.630 -3.127 1.00 52.42 C ATOM 1165 CD1 LEU A 75 4.383 -27.409 -2.021 1.00 34.15 C ATOM 1166 CD2 LEU A 75 6.583 -26.826 -3.057 1.00 22.30 C ATOM 0 H LEU A 75 2.732 -27.001 -6.164 1.00 52.42 H new ATOM 0 HA LEU A 75 4.334 -24.985 -5.044 1.00 31.21 H new ATOM 0 HB2 LEU A 75 3.555 -27.493 -4.360 1.00 23.14 H new ATOM 0 HB3 LEU A 75 5.190 -27.837 -4.890 1.00 23.14 H new ATOM 0 HG LEU A 75 4.861 -25.571 -2.986 1.00 52.42 H new ATOM 0 HD11 LEU A 75 4.775 -27.095 -1.054 1.00 34.15 H new ATOM 0 HD12 LEU A 75 3.311 -27.217 -2.058 1.00 34.15 H new ATOM 0 HD13 LEU A 75 4.566 -28.475 -2.157 1.00 34.15 H new ATOM 0 HD21 LEU A 75 6.945 -26.520 -2.075 1.00 22.30 H new ATOM 0 HD22 LEU A 75 6.821 -27.877 -3.220 1.00 22.30 H new ATOM 0 HD23 LEU A 75 7.065 -26.222 -3.826 1.00 22.30 H new ATOM 1178 N ARG A 76 5.709 -26.698 -7.470 1.00 12.14 N ATOM 1179 CA ARG A 76 6.857 -26.757 -8.366 1.00 3.13 C ATOM 1180 C ARG A 76 7.102 -25.403 -9.026 1.00 23.14 C ATOM 1181 O ARG A 76 8.162 -24.800 -8.854 1.00 33.21 O ATOM 1182 CB ARG A 76 6.641 -27.827 -9.437 1.00 54.14 C ATOM 1183 CG ARG A 76 7.498 -29.067 -9.242 1.00 50.45 C ATOM 1184 CD ARG A 76 6.653 -30.277 -8.876 1.00 52.43 C ATOM 1185 NE ARG A 76 7.471 -31.403 -8.437 1.00 24.32 N ATOM 1186 CZ ARG A 76 6.971 -32.506 -7.890 1.00 43.03 C ATOM 1187 NH1 ARG A 76 5.663 -32.629 -7.718 1.00 34.55 N1+ ATOM 1188 NH2 ARG A 76 7.781 -33.488 -7.516 1.00 20.32 N ATOM 0 H ARG A 76 4.933 -27.303 -7.739 1.00 12.14 H new ATOM 0 HA ARG A 76 7.735 -27.017 -7.774 1.00 3.13 H new ATOM 0 HB2 ARG A 76 5.591 -28.119 -9.440 1.00 54.14 H new ATOM 0 HB3 ARG A 76 6.856 -27.398 -10.416 1.00 54.14 H new ATOM 0 HG2 ARG A 76 8.054 -29.274 -10.156 1.00 50.45 H new ATOM 0 HG3 ARG A 76 8.232 -28.884 -8.457 1.00 50.45 H new ATOM 0 HD2 ARG A 76 5.955 -30.005 -8.084 1.00 52.43 H new ATOM 0 HD3 ARG A 76 6.056 -30.577 -9.738 1.00 52.43 H new ATOM 0 HE ARG A 76 8.482 -31.340 -8.557 1.00 24.32 H new ATOM 0 HH11 ARG A 76 5.038 -31.876 -8.006 1.00 34.55 H new ATOM 0 HH12 ARG A 76 5.281 -33.477 -7.298 1.00 34.55 H new ATOM 0 HH21 ARG A 76 8.788 -33.397 -7.648 1.00 20.32 H new ATOM 0 HH22 ARG A 76 7.396 -34.334 -7.096 1.00 20.32 H new ATOM 1202 N SER A 77 6.116 -24.932 -9.781 1.00 55.41 N ATOM 1203 CA SER A 77 6.225 -23.651 -10.470 1.00 64.35 C ATOM 1204 C SER A 77 6.628 -22.545 -9.500 1.00 52.23 C ATOM 1205 O SER A 77 7.303 -21.586 -9.879 1.00 33.34 O ATOM 1206 CB SER A 77 4.899 -23.296 -11.145 1.00 61.13 C ATOM 1207 OG SER A 77 4.753 -23.984 -12.376 1.00 14.14 O ATOM 0 H SER A 77 5.232 -25.418 -9.932 1.00 55.41 H new ATOM 0 HA SER A 77 6.999 -23.741 -11.232 1.00 64.35 H new ATOM 0 HB2 SER A 77 4.071 -23.549 -10.483 1.00 61.13 H new ATOM 0 HB3 SER A 77 4.852 -22.221 -11.318 1.00 61.13 H new ATOM 0 HG SER A 77 3.897 -23.741 -12.787 1.00 14.14 H new ATOM 1213 N LEU A 78 6.209 -22.684 -8.247 1.00 72.14 N ATOM 1214 CA LEU A 78 6.525 -21.697 -7.221 1.00 13.02 C ATOM 1215 C LEU A 78 8.011 -21.722 -6.880 1.00 62.30 C ATOM 1216 O LEU A 78 8.740 -20.772 -7.165 1.00 42.14 O ATOM 1217 CB LEU A 78 5.697 -21.959 -5.962 1.00 14.05 C ATOM 1218 CG LEU A 78 4.627 -20.917 -5.633 1.00 31.01 C ATOM 1219 CD1 LEU A 78 3.656 -20.764 -6.794 1.00 23.04 C ATOM 1220 CD2 LEU A 78 3.884 -21.298 -4.361 1.00 31.43 C ATOM 0 H LEU A 78 5.650 -23.471 -7.917 1.00 72.14 H new ATOM 0 HA LEU A 78 6.278 -20.710 -7.613 1.00 13.02 H new ATOM 0 HB2 LEU A 78 5.211 -22.929 -6.066 1.00 14.05 H new ATOM 0 HB3 LEU A 78 6.377 -22.033 -5.113 1.00 14.05 H new ATOM 0 HG LEU A 78 5.119 -19.959 -5.469 1.00 31.01 H new ATOM 0 HD11 LEU A 78 2.902 -20.019 -6.542 1.00 23.04 H new ATOM 0 HD12 LEU A 78 4.199 -20.444 -7.683 1.00 23.04 H new ATOM 0 HD13 LEU A 78 3.170 -21.720 -6.990 1.00 23.04 H new ATOM 0 HD21 LEU A 78 3.127 -20.545 -4.143 1.00 31.43 H new ATOM 0 HD22 LEU A 78 3.404 -22.267 -4.497 1.00 31.43 H new ATOM 0 HD23 LEU A 78 4.589 -21.355 -3.531 1.00 31.43 H new ATOM 1232 N TYR A 79 8.454 -22.816 -6.270 1.00 64.14 N ATOM 1233 CA TYR A 79 9.854 -22.965 -5.891 1.00 22.43 C ATOM 1234 C TYR A 79 10.773 -22.699 -7.079 1.00 74.05 C ATOM 1235 O TYR A 79 11.902 -22.239 -6.915 1.00 34.11 O ATOM 1236 CB TYR A 79 10.108 -24.370 -5.340 1.00 41.24 C ATOM 1237 CG TYR A 79 11.495 -24.554 -4.767 1.00 11.24 C ATOM 1238 CD1 TYR A 79 11.801 -24.115 -3.484 1.00 50.12 C ATOM 1239 CD2 TYR A 79 12.499 -25.165 -5.507 1.00 21.33 C ATOM 1240 CE1 TYR A 79 13.067 -24.280 -2.956 1.00 33.12 C ATOM 1241 CE2 TYR A 79 13.767 -25.336 -4.986 1.00 21.01 C ATOM 1242 CZ TYR A 79 14.046 -24.892 -3.710 1.00 41.33 C ATOM 1243 OH TYR A 79 15.308 -25.059 -3.189 1.00 4.45 O ATOM 0 H TYR A 79 7.864 -23.612 -6.028 1.00 64.14 H new ATOM 0 HA TYR A 79 10.073 -22.232 -5.115 1.00 22.43 H new ATOM 0 HB2 TYR A 79 9.372 -24.586 -4.565 1.00 41.24 H new ATOM 0 HB3 TYR A 79 9.954 -25.097 -6.137 1.00 41.24 H new ATOM 0 HD1 TYR A 79 11.036 -23.637 -2.890 1.00 50.12 H new ATOM 0 HD2 TYR A 79 12.285 -25.512 -6.507 1.00 21.33 H new ATOM 0 HE1 TYR A 79 13.289 -23.932 -1.958 1.00 33.12 H new ATOM 0 HE2 TYR A 79 14.536 -25.815 -5.574 1.00 21.01 H new ATOM 0 HH TYR A 79 15.877 -25.508 -3.848 1.00 4.45 H new ATOM 1253 N ASN A 80 10.278 -22.992 -8.278 1.00 2.30 N ATOM 1254 CA ASN A 80 11.053 -22.784 -9.496 1.00 21.21 C ATOM 1255 C ASN A 80 11.180 -21.297 -9.813 1.00 64.30 C ATOM 1256 O ASN A 80 12.278 -20.795 -10.059 1.00 14.44 O ATOM 1257 CB ASN A 80 10.400 -23.514 -10.671 1.00 52.24 C ATOM 1258 CG ASN A 80 10.745 -24.990 -10.700 1.00 24.12 C ATOM 1259 OD1 ASN A 80 11.382 -25.508 -9.782 1.00 43.42 O ATOM 1260 ND2 ASN A 80 10.326 -25.676 -11.757 1.00 13.41 N ATOM 0 H ASN A 80 9.345 -23.374 -8.432 1.00 2.30 H new ATOM 0 HA ASN A 80 12.052 -23.189 -9.335 1.00 21.21 H new ATOM 0 HB2 ASN A 80 9.318 -23.398 -10.611 1.00 52.24 H new ATOM 0 HB3 ASN A 80 10.719 -23.051 -11.605 1.00 52.24 H new ATOM 0 HD21 ASN A 80 10.529 -26.673 -11.831 1.00 13.41 H new ATOM 0 HD22 ASN A 80 9.801 -25.206 -12.495 1.00 13.41 H new ATOM 1267 N THR A 81 10.050 -20.597 -9.806 1.00 22.24 N ATOM 1268 CA THR A 81 10.034 -19.168 -10.093 1.00 23.53 C ATOM 1269 C THR A 81 10.725 -18.378 -8.987 1.00 54.22 C ATOM 1270 O THR A 81 11.668 -17.629 -9.243 1.00 53.33 O ATOM 1271 CB THR A 81 8.595 -18.645 -10.261 1.00 23.23 C ATOM 1272 OG1 THR A 81 7.913 -19.401 -11.267 1.00 65.55 O ATOM 1273 CG2 THR A 81 8.596 -17.172 -10.639 1.00 40.14 C ATOM 0 H THR A 81 9.133 -20.997 -9.605 1.00 22.24 H new ATOM 0 HA THR A 81 10.575 -19.027 -11.029 1.00 23.53 H new ATOM 0 HB THR A 81 8.077 -18.759 -9.309 1.00 23.23 H new ATOM 0 HG1 THR A 81 7.650 -20.271 -10.900 1.00 65.55 H new ATOM 0 HG21 THR A 81 7.569 -16.825 -10.752 1.00 40.14 H new ATOM 0 HG22 THR A 81 9.090 -16.596 -9.856 1.00 40.14 H new ATOM 0 HG23 THR A 81 9.130 -17.038 -11.580 1.00 40.14 H new ATOM 1281 N ILE A 82 10.250 -18.550 -7.758 1.00 54.22 N ATOM 1282 CA ILE A 82 10.823 -17.853 -6.614 1.00 2.03 C ATOM 1283 C ILE A 82 12.334 -18.050 -6.551 1.00 0.21 C ATOM 1284 O ILE A 82 13.063 -17.188 -6.061 1.00 53.52 O ATOM 1285 CB ILE A 82 10.199 -18.334 -5.291 1.00 33.43 C ATOM 1286 CG1 ILE A 82 8.684 -18.119 -5.308 1.00 70.24 C ATOM 1287 CG2 ILE A 82 10.829 -17.607 -4.112 1.00 73.22 C ATOM 1288 CD1 ILE A 82 7.899 -19.310 -4.806 1.00 75.43 C ATOM 0 H ILE A 82 9.470 -19.166 -7.529 1.00 54.22 H new ATOM 0 HA ILE A 82 10.602 -16.794 -6.747 1.00 2.03 H new ATOM 0 HB ILE A 82 10.395 -19.401 -5.182 1.00 33.43 H new ATOM 0 HG12 ILE A 82 8.442 -17.250 -4.696 1.00 70.24 H new ATOM 0 HG13 ILE A 82 8.369 -17.890 -6.326 1.00 70.24 H new ATOM 0 HG21 ILE A 82 10.377 -17.958 -3.184 1.00 73.22 H new ATOM 0 HG22 ILE A 82 11.900 -17.806 -4.092 1.00 73.22 H new ATOM 0 HG23 ILE A 82 10.661 -16.535 -4.214 1.00 73.22 H new ATOM 0 HD11 ILE A 82 6.833 -19.086 -4.846 1.00 75.43 H new ATOM 0 HD12 ILE A 82 8.112 -20.176 -5.432 1.00 75.43 H new ATOM 0 HD13 ILE A 82 8.185 -19.527 -3.777 1.00 75.43 H new ATOM 1300 N ALA A 83 12.798 -19.190 -7.052 1.00 30.12 N ATOM 1301 CA ALA A 83 14.223 -19.499 -7.056 1.00 55.24 C ATOM 1302 C ALA A 83 14.985 -18.561 -7.986 1.00 54.32 C ATOM 1303 O ALA A 83 16.034 -18.028 -7.624 1.00 32.42 O ATOM 1304 CB ALA A 83 14.447 -20.947 -7.465 1.00 23.22 C ATOM 0 H ALA A 83 12.208 -19.915 -7.460 1.00 30.12 H new ATOM 0 HA ALA A 83 14.604 -19.355 -6.045 1.00 55.24 H new ATOM 0 HB1 ALA A 83 15.515 -21.164 -7.464 1.00 23.22 H new ATOM 0 HB2 ALA A 83 13.942 -21.607 -6.760 1.00 23.22 H new ATOM 0 HB3 ALA A 83 14.045 -21.109 -8.465 1.00 23.22 H new ATOM 1310 N VAL A 84 14.450 -18.363 -9.187 1.00 44.43 N ATOM 1311 CA VAL A 84 15.080 -17.488 -10.169 1.00 62.23 C ATOM 1312 C VAL A 84 15.060 -16.036 -9.705 1.00 24.20 C ATOM 1313 O VAL A 84 16.087 -15.356 -9.713 1.00 64.13 O ATOM 1314 CB VAL A 84 14.382 -17.587 -11.539 1.00 21.34 C ATOM 1315 CG1 VAL A 84 15.034 -16.647 -12.540 1.00 44.52 C ATOM 1316 CG2 VAL A 84 14.408 -19.021 -12.047 1.00 34.04 C ATOM 0 H VAL A 84 13.582 -18.796 -9.503 1.00 44.43 H new ATOM 0 HA VAL A 84 16.113 -17.820 -10.271 1.00 62.23 H new ATOM 0 HB VAL A 84 13.341 -17.286 -11.420 1.00 21.34 H new ATOM 0 HG11 VAL A 84 14.527 -16.731 -13.501 1.00 44.52 H new ATOM 0 HG12 VAL A 84 14.959 -15.621 -12.179 1.00 44.52 H new ATOM 0 HG13 VAL A 84 16.084 -16.914 -12.659 1.00 44.52 H new ATOM 0 HG21 VAL A 84 13.911 -19.073 -13.016 1.00 34.04 H new ATOM 0 HG22 VAL A 84 15.441 -19.351 -12.151 1.00 34.04 H new ATOM 0 HG23 VAL A 84 13.890 -19.667 -11.338 1.00 34.04 H new ATOM 1326 N LEU A 85 13.886 -15.567 -9.300 1.00 13.43 N ATOM 1327 CA LEU A 85 13.731 -14.194 -8.830 1.00 42.04 C ATOM 1328 C LEU A 85 14.659 -13.914 -7.652 1.00 54.43 C ATOM 1329 O LEU A 85 15.217 -12.823 -7.535 1.00 1.43 O ATOM 1330 CB LEU A 85 12.280 -13.933 -8.425 1.00 35.33 C ATOM 1331 CG LEU A 85 11.821 -12.475 -8.472 1.00 31.43 C ATOM 1332 CD1 LEU A 85 11.655 -12.014 -9.911 1.00 63.14 C ATOM 1333 CD2 LEU A 85 10.521 -12.300 -7.701 1.00 33.13 C ATOM 0 H LEU A 85 13.027 -16.116 -9.287 1.00 13.43 H new ATOM 0 HA LEU A 85 13.999 -13.524 -9.647 1.00 42.04 H new ATOM 0 HB2 LEU A 85 11.631 -14.518 -9.077 1.00 35.33 H new ATOM 0 HB3 LEU A 85 12.134 -14.306 -7.411 1.00 35.33 H new ATOM 0 HG LEU A 85 12.586 -11.858 -8.000 1.00 31.43 H new ATOM 0 HD11 LEU A 85 11.328 -10.974 -9.925 1.00 63.14 H new ATOM 0 HD12 LEU A 85 12.608 -12.102 -10.433 1.00 63.14 H new ATOM 0 HD13 LEU A 85 10.910 -12.635 -10.408 1.00 63.14 H new ATOM 0 HD21 LEU A 85 10.209 -11.256 -7.745 1.00 33.13 H new ATOM 0 HD22 LEU A 85 9.748 -12.929 -8.143 1.00 33.13 H new ATOM 0 HD23 LEU A 85 10.673 -12.590 -6.661 1.00 33.13 H new ATOM 1345 N TYR A 86 14.820 -14.906 -6.784 1.00 14.31 N ATOM 1346 CA TYR A 86 15.679 -14.766 -5.615 1.00 4.04 C ATOM 1347 C TYR A 86 17.122 -14.492 -6.029 1.00 11.22 C ATOM 1348 O TYR A 86 17.713 -13.486 -5.633 1.00 31.44 O ATOM 1349 CB TYR A 86 15.615 -16.029 -4.754 1.00 63.25 C ATOM 1350 CG TYR A 86 16.630 -16.051 -3.634 1.00 12.45 C ATOM 1351 CD1 TYR A 86 16.639 -15.060 -2.659 1.00 63.05 C ATOM 1352 CD2 TYR A 86 17.578 -17.063 -3.548 1.00 43.50 C ATOM 1353 CE1 TYR A 86 17.565 -15.075 -1.634 1.00 71.41 C ATOM 1354 CE2 TYR A 86 18.507 -17.087 -2.525 1.00 53.33 C ATOM 1355 CZ TYR A 86 18.496 -16.091 -1.571 1.00 43.32 C ATOM 1356 OH TYR A 86 19.419 -16.110 -0.551 1.00 20.45 O ATOM 0 H TYR A 86 14.367 -15.816 -6.868 1.00 14.31 H new ATOM 0 HA TYR A 86 15.320 -13.918 -5.032 1.00 4.04 H new ATOM 0 HB2 TYR A 86 14.615 -16.118 -4.329 1.00 63.25 H new ATOM 0 HB3 TYR A 86 15.770 -16.900 -5.390 1.00 63.25 H new ATOM 0 HD1 TYR A 86 15.910 -14.265 -2.704 1.00 63.05 H new ATOM 0 HD2 TYR A 86 17.589 -17.844 -4.293 1.00 43.50 H new ATOM 0 HE1 TYR A 86 17.560 -14.296 -0.886 1.00 71.41 H new ATOM 0 HE2 TYR A 86 19.237 -17.881 -2.473 1.00 53.33 H new ATOM 0 HH TYR A 86 20.002 -16.891 -0.652 1.00 20.45 H new ATOM 1366 N CYS A 87 17.682 -15.392 -6.828 1.00 70.45 N ATOM 1367 CA CYS A 87 19.056 -15.249 -7.298 1.00 33.24 C ATOM 1368 C CYS A 87 19.276 -13.876 -7.923 1.00 4.43 C ATOM 1369 O CYS A 87 20.366 -13.309 -7.833 1.00 54.14 O ATOM 1370 CB CYS A 87 19.387 -16.344 -8.313 1.00 33.12 C ATOM 1371 SG CYS A 87 19.950 -17.893 -7.570 1.00 64.32 S ATOM 0 H CYS A 87 17.206 -16.229 -7.165 1.00 70.45 H new ATOM 0 HA CYS A 87 19.720 -15.348 -6.439 1.00 33.24 H new ATOM 0 HB2 CYS A 87 18.502 -16.544 -8.917 1.00 33.12 H new ATOM 0 HB3 CYS A 87 20.159 -15.976 -8.989 1.00 33.12 H new ATOM 0 HG CYS A 87 20.766 -18.493 -8.384 1.00 64.32 H new ATOM 1377 N VAL A 88 18.235 -13.346 -8.557 1.00 45.14 N ATOM 1378 CA VAL A 88 18.315 -12.039 -9.198 1.00 43.25 C ATOM 1379 C VAL A 88 18.556 -10.937 -8.172 1.00 65.35 C ATOM 1380 O VAL A 88 19.287 -9.981 -8.433 1.00 0.34 O ATOM 1381 CB VAL A 88 17.030 -11.720 -9.985 1.00 60.11 C ATOM 1382 CG1 VAL A 88 17.149 -10.371 -10.678 1.00 72.45 C ATOM 1383 CG2 VAL A 88 16.735 -12.822 -10.991 1.00 53.04 C ATOM 0 H VAL A 88 17.326 -13.802 -8.640 1.00 45.14 H new ATOM 0 HA VAL A 88 19.156 -12.077 -9.890 1.00 43.25 H new ATOM 0 HB VAL A 88 16.198 -11.668 -9.283 1.00 60.11 H new ATOM 0 HG11 VAL A 88 16.232 -10.163 -11.229 1.00 72.45 H new ATOM 0 HG12 VAL A 88 17.309 -9.592 -9.933 1.00 72.45 H new ATOM 0 HG13 VAL A 88 17.991 -10.390 -11.370 1.00 72.45 H new ATOM 0 HG21 VAL A 88 15.824 -12.581 -11.538 1.00 53.04 H new ATOM 0 HG22 VAL A 88 17.566 -12.908 -11.691 1.00 53.04 H new ATOM 0 HG23 VAL A 88 16.603 -13.768 -10.466 1.00 53.04 H new ATOM 1393 N HIS A 89 17.938 -11.078 -7.004 1.00 70.53 N ATOM 1394 CA HIS A 89 18.086 -10.095 -5.936 1.00 72.53 C ATOM 1395 C HIS A 89 19.368 -10.342 -5.146 1.00 33.42 C ATOM 1396 O HIS A 89 19.774 -9.428 -4.429 1.00 71.03 O ATOM 1397 CB HIS A 89 16.878 -10.143 -4.999 1.00 65.11 C ATOM 1398 CG HIS A 89 15.578 -9.854 -5.684 1.00 13.34 C ATOM 1399 ND1 HIS A 89 15.474 -9.033 -6.786 1.00 53.24 N ATOM 1400 CD2 HIS A 89 14.322 -10.282 -5.416 1.00 70.21 C ATOM 1401 CE1 HIS A 89 14.210 -8.968 -7.167 1.00 23.42 C ATOM 1402 NE2 HIS A 89 13.491 -9.719 -6.352 1.00 12.43 N ATOM 0 H HIS A 89 17.330 -11.863 -6.773 1.00 70.53 H new ATOM 0 HA HIS A 89 18.144 -9.106 -6.390 1.00 72.53 H new ATOM 0 HB2 HIS A 89 16.825 -11.129 -4.538 1.00 65.11 H new ATOM 0 HB3 HIS A 89 17.024 -9.422 -4.194 1.00 65.11 H new ATOM 0 HD2 HIS A 89 14.028 -10.944 -4.614 1.00 70.21 H new ATOM 0 HE1 HIS A 89 13.830 -8.398 -8.002 1.00 23.42 H new ATOM 0 HE2 HIS A 89 12.482 -9.858 -6.409 1.00 12.43 H new ATOM 1411 N GLN A 90 19.992 -11.511 -5.253 1.00 14.00 N ATOM 1412 CA GLN A 90 21.218 -11.792 -4.516 1.00 42.23 C ATOM 1413 C GLN A 90 22.445 -11.555 -5.391 1.00 71.31 C ATOM 1414 O GLN A 90 23.501 -12.149 -5.170 1.00 75.15 O ATOM 1415 CB GLN A 90 21.212 -13.233 -4.005 1.00 23.42 C ATOM 1416 CG GLN A 90 20.330 -13.442 -2.785 1.00 21.35 C ATOM 1417 CD GLN A 90 21.122 -13.829 -1.551 1.00 62.22 C ATOM 1418 OE1 GLN A 90 21.171 -13.084 -0.572 1.00 23.42 O ATOM 1419 NE2 GLN A 90 21.748 -15.000 -1.592 1.00 51.32 N ATOM 0 H GLN A 90 19.669 -12.278 -5.843 1.00 14.00 H new ATOM 0 HA GLN A 90 21.264 -11.113 -3.665 1.00 42.23 H new ATOM 0 HB2 GLN A 90 20.874 -13.892 -4.805 1.00 23.42 H new ATOM 0 HB3 GLN A 90 22.233 -13.527 -3.760 1.00 23.42 H new ATOM 0 HG2 GLN A 90 19.774 -12.527 -2.583 1.00 21.35 H new ATOM 0 HG3 GLN A 90 19.597 -14.220 -3.000 1.00 21.35 H new ATOM 0 HE21 GLN A 90 21.680 -15.586 -2.424 1.00 51.32 H new ATOM 0 HE22 GLN A 90 22.297 -15.313 -0.791 1.00 51.32 H new ATOM 1428 N ARG A 91 22.298 -10.685 -6.385 1.00 1.34 N ATOM 1429 CA ARG A 91 23.394 -10.371 -7.294 1.00 32.13 C ATOM 1430 C ARG A 91 23.924 -11.636 -7.963 1.00 10.21 C ATOM 1431 O ARG A 91 25.088 -11.698 -8.360 1.00 72.31 O ATOM 1432 CB ARG A 91 24.524 -9.668 -6.540 1.00 43.45 C ATOM 1433 CG ARG A 91 25.101 -8.474 -7.284 1.00 12.33 C ATOM 1434 CD ARG A 91 24.567 -7.162 -6.730 1.00 2.03 C ATOM 1435 NE ARG A 91 25.388 -6.657 -5.632 1.00 73.30 N ATOM 1436 CZ ARG A 91 26.607 -6.156 -5.796 1.00 70.21 C ATOM 1437 NH1 ARG A 91 27.144 -6.093 -7.007 1.00 11.23 N1+ ATOM 1438 NH2 ARG A 91 27.292 -5.717 -4.748 1.00 15.42 N ATOM 0 H ARG A 91 21.431 -10.185 -6.581 1.00 1.34 H new ATOM 0 HA ARG A 91 23.013 -9.704 -8.067 1.00 32.13 H new ATOM 0 HB2 ARG A 91 24.152 -9.336 -5.571 1.00 43.45 H new ATOM 0 HB3 ARG A 91 25.322 -10.385 -6.347 1.00 43.45 H new ATOM 0 HG2 ARG A 91 26.188 -8.487 -7.208 1.00 12.33 H new ATOM 0 HG3 ARG A 91 24.855 -8.550 -8.343 1.00 12.33 H new ATOM 0 HD2 ARG A 91 24.531 -6.420 -7.527 1.00 2.03 H new ATOM 0 HD3 ARG A 91 23.544 -7.305 -6.382 1.00 2.03 H new ATOM 0 HE ARG A 91 25.004 -6.691 -4.688 1.00 73.30 H new ATOM 0 HH11 ARG A 91 26.621 -6.430 -7.815 1.00 11.23 H new ATOM 0 HH12 ARG A 91 28.080 -5.708 -7.130 1.00 11.23 H new ATOM 0 HH21 ARG A 91 26.883 -5.764 -3.815 1.00 15.42 H new ATOM 0 HH22 ARG A 91 28.228 -5.332 -4.875 1.00 15.42 H new ATOM 1452 N ILE A 92 23.063 -12.641 -8.083 1.00 51.54 N ATOM 1453 CA ILE A 92 23.445 -13.903 -8.705 1.00 15.34 C ATOM 1454 C ILE A 92 23.017 -13.947 -10.168 1.00 14.14 C ATOM 1455 O ILE A 92 21.991 -13.379 -10.542 1.00 53.24 O ATOM 1456 CB ILE A 92 22.827 -15.104 -7.964 1.00 43.13 C ATOM 1457 CG1 ILE A 92 23.069 -14.982 -6.458 1.00 41.24 C ATOM 1458 CG2 ILE A 92 23.405 -16.407 -8.495 1.00 63.22 C ATOM 1459 CD1 ILE A 92 22.477 -16.120 -5.657 1.00 64.22 C ATOM 0 H ILE A 92 22.097 -12.606 -7.758 1.00 51.54 H new ATOM 0 HA ILE A 92 24.531 -13.969 -8.645 1.00 15.34 H new ATOM 0 HB ILE A 92 21.751 -15.107 -8.140 1.00 43.13 H new ATOM 0 HG12 ILE A 92 24.142 -14.938 -6.273 1.00 41.24 H new ATOM 0 HG13 ILE A 92 22.646 -14.041 -6.105 1.00 41.24 H new ATOM 0 HG21 ILE A 92 22.959 -17.247 -7.962 1.00 63.22 H new ATOM 0 HG22 ILE A 92 23.186 -16.495 -9.559 1.00 63.22 H new ATOM 0 HG23 ILE A 92 24.485 -16.414 -8.345 1.00 63.22 H new ATOM 0 HD11 ILE A 92 22.687 -15.968 -4.598 1.00 64.22 H new ATOM 0 HD12 ILE A 92 21.399 -16.152 -5.812 1.00 64.22 H new ATOM 0 HD13 ILE A 92 22.918 -17.062 -5.982 1.00 64.22 H new ATOM 1471 N ASP A 93 23.808 -14.627 -10.989 1.00 44.25 N ATOM 1472 CA ASP A 93 23.510 -14.748 -12.412 1.00 24.42 C ATOM 1473 C ASP A 93 23.325 -16.211 -12.805 1.00 52.41 C ATOM 1474 O ASP A 93 24.187 -17.049 -12.544 1.00 24.15 O ATOM 1475 CB ASP A 93 24.630 -14.121 -13.245 1.00 34.54 C ATOM 1476 CG ASP A 93 25.999 -14.651 -12.866 1.00 11.20 C ATOM 1477 OD1 ASP A 93 26.343 -15.771 -13.298 1.00 35.31 O ATOM 1478 OD2 ASP A 93 26.727 -13.944 -12.139 1.00 23.24 O1- ATOM 0 H ASP A 93 24.661 -15.103 -10.695 1.00 44.25 H new ATOM 0 HA ASP A 93 22.579 -14.216 -12.610 1.00 24.42 H new ATOM 0 HB2 ASP A 93 24.447 -14.318 -14.301 1.00 34.54 H new ATOM 0 HB3 ASP A 93 24.614 -13.039 -13.115 1.00 34.54 H new ATOM 1483 N VAL A 94 22.193 -16.510 -13.434 1.00 53.12 N ATOM 1484 CA VAL A 94 21.893 -17.871 -13.864 1.00 4.33 C ATOM 1485 C VAL A 94 21.337 -17.889 -15.283 1.00 33.22 C ATOM 1486 O VAL A 94 21.058 -16.841 -15.866 1.00 65.45 O ATOM 1487 CB VAL A 94 20.883 -18.548 -12.919 1.00 21.02 C ATOM 1488 CG1 VAL A 94 21.425 -18.588 -11.498 1.00 32.40 C ATOM 1489 CG2 VAL A 94 19.544 -17.829 -12.967 1.00 53.53 C ATOM 0 H VAL A 94 21.468 -15.828 -13.657 1.00 53.12 H new ATOM 0 HA VAL A 94 22.831 -18.425 -13.838 1.00 4.33 H new ATOM 0 HB VAL A 94 20.731 -19.574 -13.253 1.00 21.02 H new ATOM 0 HG11 VAL A 94 20.698 -19.070 -10.845 1.00 32.40 H new ATOM 0 HG12 VAL A 94 22.358 -19.151 -11.480 1.00 32.40 H new ATOM 0 HG13 VAL A 94 21.608 -17.572 -11.150 1.00 32.40 H new ATOM 0 HG21 VAL A 94 18.843 -18.321 -12.293 1.00 53.53 H new ATOM 0 HG22 VAL A 94 19.677 -16.792 -12.659 1.00 53.53 H new ATOM 0 HG23 VAL A 94 19.152 -17.858 -13.984 1.00 53.53 H new ATOM 1499 N LYS A 95 21.176 -19.088 -15.834 1.00 14.44 N ATOM 1500 CA LYS A 95 20.650 -19.245 -17.185 1.00 1.14 C ATOM 1501 C LYS A 95 19.276 -19.906 -17.160 1.00 53.12 C ATOM 1502 O LYS A 95 18.429 -19.632 -18.011 1.00 44.33 O ATOM 1503 CB LYS A 95 21.613 -20.077 -18.035 1.00 11.22 C ATOM 1504 CG LYS A 95 22.710 -19.256 -18.691 1.00 35.01 C ATOM 1505 CD LYS A 95 22.998 -19.738 -20.103 1.00 22.33 C ATOM 1506 CE LYS A 95 22.178 -18.975 -21.131 1.00 51.21 C ATOM 1507 NZ LYS A 95 21.737 -19.852 -22.251 1.00 13.13 N1+ ATOM 0 H LYS A 95 21.402 -19.965 -15.365 1.00 14.44 H new ATOM 0 HA LYS A 95 20.549 -18.254 -17.627 1.00 1.14 H new ATOM 0 HB2 LYS A 95 22.070 -20.842 -17.408 1.00 11.22 H new ATOM 0 HB3 LYS A 95 21.047 -20.595 -18.809 1.00 11.22 H new ATOM 0 HG2 LYS A 95 22.415 -18.207 -18.717 1.00 35.01 H new ATOM 0 HG3 LYS A 95 23.619 -19.317 -18.092 1.00 35.01 H new ATOM 0 HD2 LYS A 95 24.059 -19.617 -20.320 1.00 22.33 H new ATOM 0 HD3 LYS A 95 22.777 -20.803 -20.177 1.00 22.33 H new ATOM 0 HE2 LYS A 95 21.305 -18.538 -20.647 1.00 51.21 H new ATOM 0 HE3 LYS A 95 22.770 -18.150 -21.527 1.00 51.21 H new ATOM 0 HZ1 LYS A 95 21.181 -19.294 -22.930 1.00 13.13 H new ATOM 0 HZ2 LYS A 95 22.570 -20.250 -22.729 1.00 13.13 H new ATOM 0 HZ3 LYS A 95 21.151 -20.625 -21.876 1.00 13.13 H new ATOM 1521 N ASP A 96 19.060 -20.776 -16.180 1.00 0.24 N ATOM 1522 CA ASP A 96 17.787 -21.474 -16.043 1.00 50.10 C ATOM 1523 C ASP A 96 17.374 -21.570 -14.578 1.00 3.35 C ATOM 1524 O ASP A 96 18.097 -21.121 -13.687 1.00 33.03 O ATOM 1525 CB ASP A 96 17.881 -22.874 -16.652 1.00 12.21 C ATOM 1526 CG ASP A 96 19.003 -23.694 -16.047 1.00 32.43 C ATOM 1527 OD1 ASP A 96 20.156 -23.549 -16.503 1.00 0.04 O1- ATOM 1528 OD2 ASP A 96 18.727 -24.483 -15.118 1.00 5.42 O ATOM 0 H ASP A 96 19.750 -21.015 -15.468 1.00 0.24 H new ATOM 0 HA ASP A 96 17.028 -20.903 -16.578 1.00 50.10 H new ATOM 0 HB2 ASP A 96 16.935 -23.395 -16.506 1.00 12.21 H new ATOM 0 HB3 ASP A 96 18.036 -22.790 -17.728 1.00 12.21 H new ATOM 1533 N THR A 97 16.207 -22.157 -14.334 1.00 14.21 N ATOM 1534 CA THR A 97 15.696 -22.309 -12.977 1.00 62.53 C ATOM 1535 C THR A 97 16.552 -23.282 -12.174 1.00 5.31 C ATOM 1536 O THR A 97 16.914 -23.007 -11.029 1.00 60.54 O ATOM 1537 CB THR A 97 14.238 -22.807 -12.978 1.00 44.12 C ATOM 1538 OG1 THR A 97 13.401 -21.870 -13.665 1.00 44.20 O ATOM 1539 CG2 THR A 97 13.732 -23.000 -11.557 1.00 32.41 C ATOM 0 H THR A 97 15.597 -22.535 -15.059 1.00 14.21 H new ATOM 0 HA THR A 97 15.735 -21.324 -12.512 1.00 62.53 H new ATOM 0 HB THR A 97 14.205 -23.768 -13.492 1.00 44.12 H new ATOM 0 HG1 THR A 97 13.783 -21.675 -14.546 1.00 44.20 H new ATOM 0 HG21 THR A 97 12.701 -23.352 -11.583 1.00 32.41 H new ATOM 0 HG22 THR A 97 14.354 -23.735 -11.046 1.00 32.41 H new ATOM 0 HG23 THR A 97 13.778 -22.051 -11.022 1.00 32.41 H new ATOM 1547 N LYS A 98 16.875 -24.419 -12.780 1.00 71.13 N ATOM 1548 CA LYS A 98 17.691 -25.433 -12.123 1.00 1.33 C ATOM 1549 C LYS A 98 19.021 -24.845 -11.661 1.00 60.13 C ATOM 1550 O LYS A 98 19.477 -25.116 -10.551 1.00 63.43 O ATOM 1551 CB LYS A 98 17.942 -26.608 -13.070 1.00 31.33 C ATOM 1552 CG LYS A 98 18.222 -27.918 -12.353 1.00 13.22 C ATOM 1553 CD LYS A 98 19.713 -28.195 -12.260 1.00 72.32 C ATOM 1554 CE LYS A 98 19.991 -29.524 -11.574 1.00 11.11 C ATOM 1555 NZ LYS A 98 20.421 -30.570 -12.543 1.00 1.50 N1+ ATOM 0 H LYS A 98 16.584 -24.662 -13.727 1.00 71.13 H new ATOM 0 HA LYS A 98 17.148 -25.790 -11.248 1.00 1.33 H new ATOM 0 HB2 LYS A 98 17.073 -26.735 -13.716 1.00 31.33 H new ATOM 0 HB3 LYS A 98 18.787 -26.369 -13.716 1.00 31.33 H new ATOM 0 HG2 LYS A 98 17.794 -27.884 -11.351 1.00 13.22 H new ATOM 0 HG3 LYS A 98 17.731 -28.735 -12.882 1.00 13.22 H new ATOM 0 HD2 LYS A 98 20.146 -28.203 -13.260 1.00 72.32 H new ATOM 0 HD3 LYS A 98 20.200 -27.391 -11.709 1.00 72.32 H new ATOM 0 HE2 LYS A 98 20.766 -29.388 -10.819 1.00 11.11 H new ATOM 0 HE3 LYS A 98 19.094 -29.858 -11.053 1.00 11.11 H new ATOM 0 HZ1 LYS A 98 20.601 -31.460 -12.036 1.00 1.50 H new ATOM 0 HZ2 LYS A 98 19.672 -30.719 -13.249 1.00 1.50 H new ATOM 0 HZ3 LYS A 98 21.292 -30.263 -13.022 1.00 1.50 H new ATOM 1569 N GLU A 99 19.636 -24.039 -12.520 1.00 44.45 N ATOM 1570 CA GLU A 99 20.914 -23.413 -12.199 1.00 53.11 C ATOM 1571 C GLU A 99 20.837 -22.673 -10.866 1.00 61.25 C ATOM 1572 O GLU A 99 21.706 -22.827 -10.008 1.00 73.14 O ATOM 1573 CB GLU A 99 21.326 -22.444 -13.309 1.00 61.35 C ATOM 1574 CG GLU A 99 22.211 -23.076 -14.371 1.00 32.41 C ATOM 1575 CD GLU A 99 23.586 -23.437 -13.845 1.00 24.12 C ATOM 1576 OE1 GLU A 99 24.431 -22.526 -13.716 1.00 73.22 O1- ATOM 1577 OE2 GLU A 99 23.818 -24.631 -13.561 1.00 61.23 O ATOM 0 H GLU A 99 19.271 -23.804 -13.443 1.00 44.45 H new ATOM 0 HA GLU A 99 21.664 -24.199 -12.116 1.00 53.11 H new ATOM 0 HB2 GLU A 99 20.429 -22.047 -13.785 1.00 61.35 H new ATOM 0 HB3 GLU A 99 21.852 -21.599 -12.865 1.00 61.35 H new ATOM 0 HG2 GLU A 99 21.726 -23.973 -14.756 1.00 32.41 H new ATOM 0 HG3 GLU A 99 22.316 -22.386 -15.209 1.00 32.41 H new ATOM 1584 N ALA A 100 19.792 -21.870 -10.702 1.00 15.42 N ATOM 1585 CA ALA A 100 19.600 -21.107 -9.474 1.00 60.04 C ATOM 1586 C ALA A 100 19.543 -22.027 -8.260 1.00 35.22 C ATOM 1587 O ALA A 100 20.133 -21.736 -7.219 1.00 10.23 O ATOM 1588 CB ALA A 100 18.333 -20.270 -9.565 1.00 74.14 C ATOM 0 H ALA A 100 19.065 -21.730 -11.404 1.00 15.42 H new ATOM 0 HA ALA A 100 20.454 -20.441 -9.352 1.00 60.04 H new ATOM 0 HB1 ALA A 100 18.202 -19.706 -8.641 1.00 74.14 H new ATOM 0 HB2 ALA A 100 18.413 -19.579 -10.404 1.00 74.14 H new ATOM 0 HB3 ALA A 100 17.474 -20.925 -9.715 1.00 74.14 H new ATOM 1594 N LEU A 101 18.828 -23.138 -8.399 1.00 31.34 N ATOM 1595 CA LEU A 101 18.693 -24.102 -7.312 1.00 14.24 C ATOM 1596 C LEU A 101 20.058 -24.616 -6.866 1.00 40.42 C ATOM 1597 O LEU A 101 20.312 -24.778 -5.673 1.00 21.14 O ATOM 1598 CB LEU A 101 17.812 -25.274 -7.749 1.00 10.40 C ATOM 1599 CG LEU A 101 16.423 -24.910 -8.275 1.00 41.31 C ATOM 1600 CD1 LEU A 101 15.617 -26.166 -8.566 1.00 54.41 C ATOM 1601 CD2 LEU A 101 15.691 -24.022 -7.279 1.00 21.42 C ATOM 0 H LEU A 101 18.333 -23.394 -9.253 1.00 31.34 H new ATOM 0 HA LEU A 101 18.223 -23.597 -6.469 1.00 14.24 H new ATOM 0 HB2 LEU A 101 18.339 -25.829 -8.526 1.00 10.40 H new ATOM 0 HB3 LEU A 101 17.692 -25.948 -6.901 1.00 10.40 H new ATOM 0 HG LEU A 101 16.542 -24.356 -9.206 1.00 41.31 H new ATOM 0 HD11 LEU A 101 14.632 -25.888 -8.939 1.00 54.41 H new ATOM 0 HD12 LEU A 101 16.134 -26.764 -9.317 1.00 54.41 H new ATOM 0 HD13 LEU A 101 15.507 -26.748 -7.651 1.00 54.41 H new ATOM 0 HD21 LEU A 101 14.704 -23.773 -7.670 1.00 21.42 H new ATOM 0 HD22 LEU A 101 15.583 -24.550 -6.332 1.00 21.42 H new ATOM 0 HD23 LEU A 101 16.260 -23.106 -7.121 1.00 21.42 H new ATOM 1613 N ASP A 102 20.934 -24.867 -7.833 1.00 74.30 N ATOM 1614 CA ASP A 102 22.275 -25.359 -7.541 1.00 31.43 C ATOM 1615 C ASP A 102 23.050 -24.354 -6.694 1.00 71.51 C ATOM 1616 O ASP A 102 23.812 -24.733 -5.804 1.00 41.23 O ATOM 1617 CB ASP A 102 23.032 -25.642 -8.839 1.00 72.04 C ATOM 1618 CG ASP A 102 22.377 -26.731 -9.666 1.00 55.32 C ATOM 1619 OD1 ASP A 102 21.735 -27.623 -9.072 1.00 5.10 O ATOM 1620 OD2 ASP A 102 22.504 -26.690 -10.908 1.00 30.14 O1- ATOM 0 H ASP A 102 20.739 -24.738 -8.826 1.00 74.30 H new ATOM 0 HA ASP A 102 22.180 -26.286 -6.976 1.00 31.43 H new ATOM 0 HB2 ASP A 102 23.090 -24.727 -9.429 1.00 72.04 H new ATOM 0 HB3 ASP A 102 24.055 -25.935 -8.603 1.00 72.04 H new ATOM 1625 N LYS A 103 22.851 -23.072 -6.978 1.00 13.35 N ATOM 1626 CA LYS A 103 23.530 -22.011 -6.243 1.00 51.00 C ATOM 1627 C LYS A 103 22.959 -21.873 -4.835 1.00 42.42 C ATOM 1628 O LYS A 103 23.704 -21.739 -3.864 1.00 43.30 O ATOM 1629 CB LYS A 103 23.401 -20.682 -6.990 1.00 54.32 C ATOM 1630 CG LYS A 103 24.728 -20.127 -7.478 1.00 54.24 C ATOM 1631 CD LYS A 103 25.166 -20.788 -8.774 1.00 73.43 C ATOM 1632 CE LYS A 103 26.434 -21.606 -8.582 1.00 10.41 C ATOM 1633 NZ LYS A 103 27.588 -20.753 -8.183 1.00 70.10 N1+ ATOM 0 H LYS A 103 22.225 -22.742 -7.712 1.00 13.35 H new ATOM 0 HA LYS A 103 24.585 -22.275 -6.164 1.00 51.00 H new ATOM 0 HB2 LYS A 103 22.738 -20.818 -7.844 1.00 54.32 H new ATOM 0 HB3 LYS A 103 22.930 -19.950 -6.334 1.00 54.32 H new ATOM 0 HG2 LYS A 103 24.640 -19.051 -7.629 1.00 54.24 H new ATOM 0 HG3 LYS A 103 25.491 -20.280 -6.714 1.00 54.24 H new ATOM 0 HD2 LYS A 103 24.368 -21.433 -9.142 1.00 73.43 H new ATOM 0 HD3 LYS A 103 25.336 -20.025 -9.534 1.00 73.43 H new ATOM 0 HE2 LYS A 103 26.264 -22.367 -7.820 1.00 10.41 H new ATOM 0 HE3 LYS A 103 26.672 -22.130 -9.508 1.00 10.41 H new ATOM 0 HZ1 LYS A 103 28.476 -21.217 -8.464 1.00 70.10 H new ATOM 0 HZ2 LYS A 103 27.516 -19.829 -8.654 1.00 70.10 H new ATOM 0 HZ3 LYS A 103 27.579 -20.617 -7.152 1.00 70.10 H new ATOM 1647 N ILE A 104 21.635 -21.907 -4.733 1.00 31.25 N ATOM 1648 CA ILE A 104 20.966 -21.788 -3.443 1.00 71.20 C ATOM 1649 C ILE A 104 21.273 -22.987 -2.552 1.00 13.12 C ATOM 1650 O ILE A 104 21.317 -22.867 -1.328 1.00 72.20 O ATOM 1651 CB ILE A 104 19.440 -21.664 -3.610 1.00 31.01 C ATOM 1652 CG1 ILE A 104 19.097 -20.452 -4.478 1.00 52.21 C ATOM 1653 CG2 ILE A 104 18.765 -21.557 -2.250 1.00 44.34 C ATOM 1654 CD1 ILE A 104 17.685 -20.478 -5.021 1.00 43.43 C ATOM 0 H ILE A 104 21.004 -22.016 -5.527 1.00 31.25 H new ATOM 0 HA ILE A 104 21.347 -20.882 -2.972 1.00 71.20 H new ATOM 0 HB ILE A 104 19.070 -22.560 -4.108 1.00 31.01 H new ATOM 0 HG12 ILE A 104 19.235 -19.544 -3.891 1.00 52.21 H new ATOM 0 HG13 ILE A 104 19.797 -20.402 -5.312 1.00 52.21 H new ATOM 0 HG21 ILE A 104 17.687 -21.470 -2.385 1.00 44.34 H new ATOM 0 HG22 ILE A 104 18.987 -22.448 -1.663 1.00 44.34 H new ATOM 0 HG23 ILE A 104 19.138 -20.676 -1.727 1.00 44.34 H new ATOM 0 HD11 ILE A 104 17.512 -19.589 -5.627 1.00 43.43 H new ATOM 0 HD12 ILE A 104 17.548 -21.368 -5.635 1.00 43.43 H new ATOM 0 HD13 ILE A 104 16.977 -20.496 -4.193 1.00 43.43 H new ATOM 1666 N GLU A 105 21.486 -24.142 -3.175 1.00 53.31 N ATOM 1667 CA GLU A 105 21.790 -25.362 -2.437 1.00 73.35 C ATOM 1668 C GLU A 105 23.259 -25.398 -2.027 1.00 31.22 C ATOM 1669 O GLU A 105 23.606 -25.929 -0.972 1.00 71.14 O ATOM 1670 CB GLU A 105 21.455 -26.593 -3.284 1.00 1.45 C ATOM 1671 CG GLU A 105 21.153 -27.833 -2.460 1.00 70.53 C ATOM 1672 CD GLU A 105 21.294 -29.113 -3.261 1.00 73.42 C ATOM 1673 OE1 GLU A 105 20.425 -29.373 -4.121 1.00 24.25 O ATOM 1674 OE2 GLU A 105 22.271 -29.855 -3.029 1.00 1.11 O1- ATOM 0 H GLU A 105 21.454 -24.258 -4.188 1.00 53.31 H new ATOM 0 HA GLU A 105 21.179 -25.373 -1.535 1.00 73.35 H new ATOM 0 HB2 GLU A 105 20.595 -26.367 -3.914 1.00 1.45 H new ATOM 0 HB3 GLU A 105 22.292 -26.804 -3.950 1.00 1.45 H new ATOM 0 HG2 GLU A 105 21.826 -27.869 -1.603 1.00 70.53 H new ATOM 0 HG3 GLU A 105 20.139 -27.765 -2.066 1.00 70.53 H new